923-16-0,MFCD00066038
Catalog No.:AA00IGZQ

923-16-0 | D-Alanyl-D-alanine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$58.00   $41.00
- +
250mg
95%
in stock  
$72.00   $51.00
- +
1g
95%
in stock  
$162.00   $114.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IGZQ
Chemical Name:
D-Alanyl-D-alanine
CAS Number:
923-16-0
Molecular Formula:
C6H12N2O3
Molecular Weight:
160.1711
MDL Number:
MFCD00066038
SMILES:
C[C@H](C(=O)O)NC(=O)[C@H](N)C
Properties
Properties
 
BP:
402.6 °C at 760 mmHg  
Form:
Solid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
169  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-3.3  

Downstream Synthesis Route

[1]Levene;Yang[JournalofBiologicalChemistry,1933,vol.99,p.410]

[1]Erlanger;Brand[JournaloftheAmericanChemicalSociety,1951,vol.73,p.3508]

[1]Schwabacher,AlanW.;Lei,Haiyan[JournalofOrganicChemistry,1990,vol.55,#25,p.6080-6081]

[1]Carlson,R.G.;Srinivasachar,K.;Givens,R.S.;Matuszewski,B.K.[JournalofOrganicChemistry,1986,vol.51,#21,p.3978-3983]

[1]Williams;Williamson;Butcher;Hammond[JournaloftheAmericanChemicalSociety,1983,vol.105,#5,p.1332-1339]

[2]Kim;Martin;Otis;Mao[JournalofMedicinalChemistry,1989,vol.32,#1,p.84-93]

Literature

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Journal: Bioprocess and biosystems engineering 20170801

Title: Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependence.

Journal: Journal of computational chemistry 20120730

Title: Intestinal permeability of cyclic peptides: common key backbone motifs identified.

Journal: Journal of the American Chemical Society 20120725

Title: An algorithm to find minimum free-energy paths using umbrella integration.

Journal: The Journal of chemical physics 20120721

Title: Oritavancin: mechanism of action.

Journal: Clinical infectious diseases : an official publication of the Infectious Diseases Society of America 20120401

Title: Structure and function of the transketolase from Mycobacterium tuberculosis and comparison with the human enzyme.

Journal: Open biology 20120101

Title: Force-momentum-based self-guided Langevin dynamics: a rapid sampling method that approaches the canonical ensemble.

Journal: The Journal of chemical physics 20111128

Title: A porous silicon optical microcavity for sensitive bacteria detection.

Journal: Nanotechnology 20111021

Title: Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent.

Journal: The Journal of chemical physics 20111021

Title: Multiple state transition interface sampling of alanine dipeptide in explicit solvent.

Journal: The Journal of chemical physics 20111014

Title: Reactivity of alanylalanine diastereoisomers in neutral and acid aqueous solutions: a versatile stereoselectivity.

Journal: Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 20111001

Title: Clonal structure of Streptococcus sanguinis strains isolated from endocarditis cases and the oral cavity.

Journal: Molecular oral microbiology 20111001

Title: A redesigned vancomycin engineered for dual D-Ala-D-ala And D-Ala-D-Lac binding exhibits potent antimicrobial activity against vancomycin-resistant bacteria.

Journal: Journal of the American Chemical Society 20110907

Title: Perturbation analyses of intermolecular interactions.

Journal: Physical review. E, Statistical, nonlinear, and soft matter physics 20110801

Title: Probing peptide-inorganic surface interaction at the single molecule level using force spectroscopy.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20110509

Title: Toward canonical ensemble distribution from self-guided Langevin dynamics simulation.

Journal: The Journal of chemical physics 20110407

Title: Integrating diffusion maps with umbrella sampling: application to alanine dipeptide.

Journal: The Journal of chemical physics 20110407

Title: Dissociative electron attachment to glycyl-glycine, glycyl-alanine and alanyl-alanine.

Journal: Physical chemistry chemical physics : PCCP 20110314

Title: Bond dissociation of the dipeptide dialanine and its derivative alanine anhydride induced by low energy electrons.

Journal: The Journal of chemical physics 20110207

Title: Structure-based modification of D-alanine-D-alanine ligase from Thermotoga maritima ATCC 43589 for depsipeptide synthesis.

Journal: Bioscience, biotechnology, and biochemistry 20110101

Title: Acquisition and assimilation of nitrogen as peptide-bound and D-enantiomers of amino acids by wheat.

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Title: Exploring internal features of 16S rRNA gene for identification of clinically relevant species of the genus Streptococcus.

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Title: A rapid in situ procedure for determination of bacterial susceptibility or resistance to antibiotics that inhibit peptidoglycan biosynthesis.

Journal: BMC microbiology 20110101

Title: Identification and Characterization of Cell Wall Proteins of a Toxic Dinoflagellate Alexandrium catenella Using 2-D DIGE and MALDI TOF-TOF Mass Spectrometry.

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Title: Unique residues involved in activation of the multitasking protease/chaperone HtrA from Chlamydia trachomatis.

Journal: PloS one 20110101

Title: Infrared spectroscopy of the alanine dipeptide analog in liquid water with DFT-MD. Direct evidence for P(II)/beta conformations.

Journal: Physical chemistry chemical physics : PCCP 20100921

Title: Direct fluorescence polarization assay for the detection of glycopeptide antibiotics.

Journal: Analytical chemistry 20100815

Title: Crystal structure of a complex between the Actinomadura R39 DD-peptidase and a peptidoglycan-mimetic boronate inhibitor: interpretation of a transition state analogue in terms of catalytic mechanism.

Journal: Biochemistry 20100803

Title: Synthesis of a D-Ala-D-Ala peptide isostere via olefin cross-metathesis and evaluation of vancomycin binding.

Journal: Bioorganic & medicinal chemistry letters 20100801

Title: Steady-state simulations using weighted ensemble path sampling.

Journal: The Journal of chemical physics 20100707

Title: Role of Arg301 in substrate orientation and catalysis in subsite 2 of D-alanine:D-alanine (D-lactate) ligase from Leuconostoc mesenteroides: a molecular docking study.

Journal: Journal of molecular graphics & modelling 20100601

Title: Multicanonical ab inito QM/MM molecular dynamics simulation of a peptide in an aqueous environment.

Journal: Journal of computational chemistry 20100430

Title: Replica-exchange method in van der Waals radius space: overcoming steric restrictions for biomolecules.

Journal: The Journal of chemical physics 20100407

Title: Crystallization and preliminary X-ray analysis of a D-alanyl-D-alanine ligase (EcDdlB) from Escherichia coli.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications 20100401

Title: Telavancin's interactions with the bacterial cell membrane.

Journal: Future microbiology 20100301

Title: Application of nonlinear dimensionality reduction to characterize the conformational landscape of small peptides.

Journal: Proteins 20100201

Title: Fluoroolefins as peptide mimetics. 2. A computational study of the conformational ramifications of peptide bond replacement.

Journal: The journal of physical chemistry. A 20100121

Title: A liquid chromatography-tandem mass spectrometry assay for Marfey's derivatives of L-Ala, D-Ala, and D-Ala-D-Ala: application to the in vivo confirmation of alanine racemase as the target of cycloserine in Escherichia coli.

Journal: Analytical biochemistry 20100101

Title: Global gene expression under nitrogen starvation in Xylella fastidiosa: contribution of the σ54 regulon.

Journal: BMC microbiology 20100101

Title: Proteomic characterization of vanA-containing Enterococcus recovered from Seagulls at the Berlengas Natural Reserve, W Portugal.

Journal: Proteome science 20100101

Title: Deciphering the intracellular metabolism of Listeria monocytogenes by mutant screening and modelling.

Journal: BMC genomics 20100101

Title: Introducing sampling entropy in repository based adaptive umbrella sampling.

Journal: The Journal of chemical physics 20091207

Title: A selective integrated tempering method.

Journal: The Journal of chemical physics 20091207

Title: Molecular mechanics force field-based map for peptide amide-I mode in solution and its application to alanine di- and tripeptides.

Journal: Physical chemistry chemical physics : PCCP 20091028

Title: Exploration of effective potential landscapes using coarse reverse integration.

Journal: The Journal of chemical physics 20091007

Title: Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.

Journal: The Journal of chemical physics 20091007

Title: On-capillary derivatization using a hybrid artificial neural network-genetic algorithm approach.

Journal: The Analyst 20091001

Title: Numerical examination of the extended phase-space volume-preserving integrator by the Nosé-Hoover molecular dynamics equations.

Journal: Journal of computational chemistry 20090901

Title: Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics.

Journal: Journal of computational chemistry 20090801

Title: Abstracts of the 2008 ISSOL Meeting. August 24-29, 2008. Florence, Italy.

Journal: Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 20090801

Title: Absolute free energies estimated by combining precalculated molecular fragment libraries.

Journal: Journal of computational chemistry 20090801

Title: L-alanyl-L-alanine conformational changes induced by pH as monitored by the Raman optical activity spectra.

Journal: The journal of physical chemistry. A 20090709

Title: Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces.

Journal: Physical review. E, Statistical, nonlinear, and soft matter physics 20090701

Title: Use of magnetic beads to study the interaction of ristocetin with peptides and bacteria.

Journal: Bioanalysis 20090701

Title: Exploring the free energy landscape: from dynamics to networks and back.

Journal: PLoS computational biology 20090601

Title: In vivo transcriptional profiling of Listeria monocytogenes and mutagenesis identify new virulence factors involved in infection.

Journal: PLoS pathogens 20090501

Title: Theoretical study of the effective Chemical Shielding Anisotropy (CSA) in peptide backbone, rating the impact of CSAs on the cross-correlated relaxations in L-alanyl-L-alanine.

Journal: The journal of physical chemistry. B 20090416

Title: Comparison between integrated and parallel tempering methods in enhanced sampling simulations.

Journal: The Journal of chemical physics 20090328

Title: Carbon-deuterium vibrational probes of peptide conformation: alanine dipeptide and glycine dipeptide.

Journal: The Journal of chemical physics 20090328

Title: Design and synthesis of new hydroxyethylamines as inhibitors of D-alanyl-D-lactate ligase (VanA) and D-alanyl-D-alanine ligase (DdlB).

Journal: Bioorganic & medicinal chemistry letters 20090301

Title: Telavancin: a new lipoglycopeptide for gram-positive infections.

Journal: Drugs of today (Barcelona, Spain : 1998) 20090301

Title: Vancomycin resistance: modeling backbone variants with D-Ala-D-Ala and D-Ala-D-Lac peptides.

Journal: Bioorganic & medicinal chemistry letters 20090215

Title: Structure of PBP-A from Thermosynechococcus elongatus, a penicillin-binding protein closely related to class A beta-lactamases.

Journal: Journal of molecular biology 20090213

Title: Poisoning pyridoxal 5-phosphate-dependent enzymes: a new strategy to target the malaria parasite Plasmodium falciparum.

Journal: PloS one 20090101

Title: In silico prioritisation of candidate genes for prokaryotic gene function discovery: an application of phylogenetic profiles.

Journal: BMC bioinformatics 20090101

Title: DD-ligases as a potential target for antibiotics: past, present and future.

Journal: Current medicinal chemistry 20090101

Title: Genome-scale gene/reaction essentiality and synthetic lethality analysis.

Journal: Molecular systems biology 20090101

Title: Bench-to-bedside review: Understanding the impact of resistance and virulence factors on methicillin-resistant Staphylococcus aureus infections in the intensive care unit.

Journal: Critical care (London, England) 20090101

Title: Expression, crystallization and preliminary X-ray crystallographic analysis of Xoo0352, D-alanine-D-alanine ligase A, from Xanthomonas oryzae pv. oryzae.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications 20081201

Title: Synthesis and structural study of cyclic 5-aminovaleric acid-linked beta-Ala-beta-Ala dipeptides.

Journal: Bioorganic & medicinal chemistry letters 20081115

Title: Characterization of structural variations in the peptidoglycan of vancomycin-susceptible Enterococcus faecium: understanding glycopeptide-antibiotic binding sites using mass spectrometry.

Journal: Journal of the American Society for Mass Spectrometry 20081001

Title: A versatile AMBER-Gaussian QM/MM interface through PUPIL.

Journal: Journal of computational chemistry 20080730

Title: Ethanol inhibits functional activity of the human intestinal dipeptide transporter hPepT1 expressed in Xenopus oocytes.

Journal: Alcoholism, clinical and experimental research 20080501

Title: Vancomycin derivative with damaged D-Ala-D-Ala binding cleft binds to cross-linked peptidoglycan in the cell wall of Staphylococcus aureus.

Journal: Biochemistry 20080325

Title: Characterization of tRNA-dependent peptide bond formation by MurM in the synthesis of Streptococcus pneumoniae peptidoglycan.

Journal: The Journal of biological chemistry 20080307

Title: Determination of conformational preferences of dipeptides using vibrational spectroscopy.

Journal: The journal of physical chemistry. B 20080306

Title: Dependence of the L-alanyl-L-alanine conformation on molecular charge determined from ab initio computations and NMR spectra.

Journal: The journal of physical chemistry. B 20080214

Title: Evolution of a family of metazoan active-site-serine enzymes from penicillin-binding proteins: a novel facet of the bacterial legacy.

Journal: BMC evolutionary biology 20080101

Title: Regulation of osmoadaptation in the moderate halophile Halobacillus halophilus: chloride, glutamate and switching osmolyte strategies.

Journal: Saline systems 20080101

Title: Dynamic selection of novel vancomycin N-terminal derivatives by resin-bound reversed D-Ala-D-Ala.

Journal: Journal of combinatorial chemistry 20080101

Title: The lantibiotic mersacidin is a strong inducer of the cell wall stress response of Staphylococcus aureus.

Journal: BMC microbiology 20080101

Title: Phage display-derived inhibitor of the essential cell wall biosynthesis enzyme MurF.

Journal: BMC biochemistry 20080101

Title: Usefulness of spectroscopy for biomedical engineering.

Journal: Acta of bioengineering and biomechanics 20080101

Title: Rickettsia phylogenomics: unwinding the intricacies of obligate intracellular life.

Journal: PloS one 20080101

Title: Current and novel antibiotics against resistant Gram-positive bacteria.

Journal: Infection and drug resistance 20080101

Title: Dipeptide structure determination by vibrational circular dichroism combined with quantum chemistry calculations.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20071022

Title: Reactions of peptidoglycan-mimetic beta-lactams with penicillin-binding proteins in vivo and in membranes.

Journal: ACS chemical biology 20070921

Title: Recognition of 2-aminothiazole-4-acetic acid derivatives by the peptide transporters PEPT1 and PEPT2.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20070901

Title: Role of insertion elements and yycFG in the development of decreased susceptibility to vancomycin in Staphylococcus aureus.

Journal: International journal of medical microbiology : IJMM 20070701

Title: Proteome analysis of Paenibacillus polymyxa E681 affected by barley.

Journal: Journal of microbiology and biotechnology 20070601

Title: A novel lantibiotic acting on bacterial cell wall synthesis produced by the uncommon actinomycete Planomonospora sp.

Journal: Biochemistry 20070522

Title: Dalbavancin: a review.

Journal: Drugs of today (Barcelona, Spain : 1998) 20070501

Title: Diazenedicarboxamides as inhibitors of D-alanine-D-alanine ligase (Ddl).

Journal: Bioorganic & medicinal chemistry letters 20070401

Title: Single-molecule force spectroscopy and imaging of the vancomycin/D-Ala-D-Ala interaction.

Journal: Nano letters 20070301

Title: Bacterial ligands generated in a phagosome are targets of the cytosolic innate immune system.

Journal: PLoS pathogens 20070301

Title: Serial replica exchange.

Journal: The journal of physical chemistry. B 20070215

Title: Replica exchange with dynamical scaling.

Journal: The Journal of chemical physics 20070207

Title: From A to B in free energy space.

Journal: The Journal of chemical physics 20070207

Title: Doubly resonant three-wave-mixing spectroscopy of a chiral coupled-chromophore system in solution: coherent two-dimensional optical activity spectroscopy.

Journal: The Journal of chemical physics 20070207

Title: Thermostable ATP regeneration system using polyphosphate kinase from Thermosynechococcus elongatus BP-1 for D-amino acid dipeptide synthesis.

Journal: Journal of bioscience and bioengineering 20070201

Title: Genetic diversity among Enterococcus faecalis.

Journal: PloS one 20070101

Title: Design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de Novo design.

Journal: Journal of chemical information and modeling 20070101

Title: Multiple pathways in conformational transitions of the alanine dipeptide: an application of dynamic importance sampling.

Journal: Journal of computational chemistry 20060801

Title: Total synthesis and evaluation of [Psi[CH2NH]Tpg4]vancomycin aglycon: reengineering vancomycin for dual D-Ala-D-Ala and D-Ala-D-Lac binding.

Journal: Journal of the American Chemical Society 20060308

Title: Trends in antibiotic susceptibility patterns and epidemiology of MRSA isolates from several hospitals in Riyadh, Saudi Arabia.

Journal: Annals of clinical microbiology and antimicrobials 20060101

Title: A complete set of NMR chemical shifts and spin-spin coupling constants for L-Alanyl-L-alanine zwitterion and analysis of its conformational behavior.

Journal: Journal of the American Chemical Society 20051207

Title: Phosphinate, sulfonate, and sulfonamidate dipeptides as potential inhibitors of Escherichia coli aminopeptidase N.

Journal: Bioorganic & medicinal chemistry letters 20051201

Title: X-ray crystallographic analysis of 6-aminohexanoate-dimer hydrolase: molecular basis for the birth of a nylon oligomer-degrading enzyme.

Journal: The Journal of biological chemistry 20051125

Title: Can proteins and crystals self-catalyze methyl rotations?

Journal: The journal of physical chemistry. B 20051103

Title: Reconciling observations of sequence-specific conformational propensities with the generic polymeric behavior of denatured proteins.

Journal: Biochemistry 20050830

Title: Characterization of Chlamydia MurC-Ddl, a fusion protein exhibiting D-alanyl-D-alanine ligase activity involved in peptidoglycan synthesis and D-cycloserine sensitivity.

Journal: Molecular microbiology 20050701

Title: Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1.

Journal: Journal of medicinal chemistry 20050630

Title: The D-methyl group in beta-lactamase evolution: evidence from the Y221G and GC1 mutants of the class C beta-lactamase of Enterobacter cloacae P99.

Journal: Biochemistry 20050524

Title: Enhanced sensitivity and resolution in (1)H solid-state NMR spectroscopy of paramagnetic complexes under very fast magic angle spinning.

Journal: Journal of the American Chemical Society 20050427

Title: Differential inhibition of Staphylococcus aureus PBP2 by glycopeptide antibiotics.

Journal: Journal of the American Chemical Society 20050316

Title: Affinity capture using vancomycin-bound magnetic nanoparticles for the MALDI-MS analysis of bacteria.

Journal: Analytical chemistry 20050315

Title: Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a 'perfect penicillin'.

Journal: Journal of molecular biology 20050121

Title: Anti-CD3 antibodies OKT3 and hOKT3gamma1(Ala-Ala) induce proliferation of T cells but impair expansion of alloreactive T cells; aspecifc T cell proliferation induced by anti-CD3 antibodies correlates with impaired expansion of alloreactive T cells.

Journal: International immunopharmacology 20050101

Title: Existence of specific 'folds' in polyproline II ensembles of an 'unfolded'alanine peptide detected by molecular dynamics.

Journal: Journal of the American Chemical Society 20041222

Title: Synchronized conformational fluctuations and binding site desolvation during molecular recognition.

Journal: Biochemistry 20041214

Title: Molecular recognition remolds the self-assembly of hydrogelators and increases the elasticity of the hydrogel by 10(6)-fold.

Journal: Journal of the American Chemical Society 20041124

Title: Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water.

Journal: Journal of computational chemistry 20041115

Title: Self-protection mechanism in D-cycloserine-producing Streptomyces lavendulae. Gene cloning, characterization, and kinetics of its alanine racemase and D-alanyl-D-alanine ligase, which are target enzymes of D-cycloserine.

Journal: The Journal of biological chemistry 20041029

Title: First principles investigation of vancomycin and teicoplanin binding to bacterial cell wall termini.

Journal: Journal of the American Chemical Society 20040714

Title: The perfect penicillin? Inhibition of a bacterial DD-peptidase by peptidoglycan-mimetic beta-lactams.

Journal: Journal of the American Chemical Society 20040707

Title: Nosocomial infection with vancomycin-dependent enterococci.

Journal: Emerging infectious diseases 20040701

Title: The non-polar solvent potential of mean force for the dimerization of alanine dipeptide: the role of solute-solvent van der Waals interactions.

Journal: Biophysical chemistry 20040501

Title: Investigation of noncovalent interactions in deprotonated peptides: structural and energetic competition between aggregation and hydration.

Journal: Journal of the American Chemical Society 20040317

Title: Role of solvent in determining conformational preferences of alanine dipeptide in water.

Journal: Journal of the American Chemical Society 20040303

Title: Water molecule adsorption on protonated dipeptides.

Journal: Journal of the American Chemical Society 20040204

Title: Improved treatment of the protein backbone in empirical force fields.

Journal: Journal of the American Chemical Society 20040128

Title: Supramolecular hydrogels respond to ligand-receptor interaction.

Journal: Journal of the American Chemical Society 20031112

Title: A six amino acid deletion, partially overlapping the VanSB G2 ATP-binding motif, leads to constitutive glycopeptide resistance in VanB-type Enterococcus faecium.

Journal: Molecular microbiology 20031101

Title: Phenotypic characteristics and population genetics of Enterococcus faecalis cultured from patients in Tehran during 2000-2001.

Journal: Canadian journal of microbiology 20031001

Title: New chromogenic dipeptide substrate for continuous assay of the D-alanyl-D-alanine dipeptidase VanX required for high-level vancomycin resistance.

Journal: The journal of peptide research : official journal of the American Peptide Society 20030801

Title: Replica-exchange method using the generalized effective potential.

Journal: Physical review letters 20030801

Title: Using bifunctional polymers presenting vancomycin and fluorescein groups to direct anti-fluorescein antibodies to self-assembled monolayers presenting d-alanine-d-alanine groups.

Journal: Journal of the American Chemical Society 20030416

Title: Peptido- and glycocalixarenes: playing with hydrogen bonds around hydrophobic cavities.

Journal: Accounts of chemical research 20030401

Title: On-column derivatization of the antibiotics teicoplanin and ristocetin coupled to affinity capillary electrophoresis.

Journal: Electrophoresis 20030301

Title: Application of a real-time biosensor to detect bacteria in platelet concentrates.

Journal: Biochemical and biophysical research communications 20030103

Title: A simple model for polyproline II structure in unfolded states of alanine-based peptides.

Journal: Protein science : a publication of the Protein Society 20021001

Title: Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.

Journal: Journal of molecular biology 20020906

Title: Gas-phase reactions of charged phenyl radicals with neutral biomolecules evaporated by laser-induced acoustic desorption.

Journal: Journal of the American Society for Mass Spectrometry 20020201

Title: Molecular cloning and functional characterisation of VanX, a D-alanyl-D-alanine dipeptidase from Streptomyces coelicolor A3(2).

Journal: Research in microbiology 20020101

Title: Conformational preferences and vibrational frequency distributions of short peptides in relation to multidimensional infrared spectroscopy.

Journal: Journal of the American Chemical Society 20011226

Title: Evaluation of the conformational propensities of peptide isosteres as a basis for selecting bioactive pseudopeptides.

Journal: The journal of peptide research : official journal of the American Peptide Society 20011201

Title: A selectively deprotectable triazacyclophane scaffold for the construction of artificial receptors.

Journal: Organic letters 20011101

Title: Perspective.

Journal: Protein science : a publication of the Protein Society 20010801

Title: Direct measurement indicates a slow cis/trans isomerization at the secondary amide peptide bond of glycylglycine.

Journal: Journal of the American Chemical Society 20010704

Title: Scaled quantum mechanical force field for alanyl-alanine peptide in solution.

Journal: Biopolymers 20010501

Title: The effect of specific antibodies on the inhibition of leucocyte migration caused by staphylococcal peptidoglycan.

Journal: Acta pathologica et microbiologica Scandinavica. Section B, Microbiology 19761001

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SDS
Tags:923-16-0 Molecular Formula|923-16-0 MDL|923-16-0 SMILES|923-16-0 D-Alanyl-D-alanine
Catalog No.: AA00IGZQ
923-16-0,MFCD00066038
923-16-0 | D-Alanyl-D-alanine
Pack Size: 100mg
Purity: 95%
in stock
$58.00 $41.00
Pack Size: 250mg
Purity: 95%
in stock
$72.00 $51.00
Pack Size: 1g
Purity: 95%
in stock
$162.00 $114.00
Quantity
- +
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Technical Information
Catalog Number: AA00IGZQ
Chemical Name: D-Alanyl-D-alanine
CAS Number: 923-16-0
Molecular Formula: C6H12N2O3
Molecular Weight: 160.1711
MDL Number: MFCD00066038
SMILES: C[C@H](C(=O)O)NC(=O)[C@H](N)C
Properties
BP: 402.6 °C at 760 mmHg  
Form: Solid  
Storage: 2-8℃;  
Complexity: 169  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -3.3  
Downstream Synthesis Route
129940-66-5    923-16-0 

[1]Levene;Yang[JournalofBiologicalChemistry,1933,vol.99,p.410]

21441-89-4    923-16-0 

[1]Erlanger;Brand[JournaloftheAmericanChemicalSociety,1951,vol.73,p.3508]

112-77-6    923-16-0    130903-19-4 

[1]Schwabacher,AlanW.;Lei,Haiyan[JournalofOrganicChemistry,1990,vol.55,#25,p.6080-6081]

923-16-0    7149-49-7    143-33-9    103836-37-9 

[1]Carlson,R.G.;Srinivasachar,K.;Givens,R.S.;Matuszewski,B.K.[JournalofOrganicChemistry,1986,vol.51,#21,p.3978-3983]

923-16-0    108-24-7    19993-26-1 

[1]Williams;Williamson;Butcher;Hammond[JournaloftheAmericanChemicalSociety,1983,vol.105,#5,p.1332-1339]

[2]Kim;Martin;Otis;Mao[JournalofMedicinalChemistry,1989,vol.32,#1,p.84-93]

Literature fold

Title: Purification, biochemical, and structural characterization of a novel fibrinolytic enzyme from Mucor subtilissimus UCP 1262.

Journal: Bioprocess and biosystems engineering20170801

Title: Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependence.

Journal: Journal of computational chemistry20120730

Title: Intestinal permeability of cyclic peptides: common key backbone motifs identified.

Journal: Journal of the American Chemical Society20120725

Title: An algorithm to find minimum free-energy paths using umbrella integration.

Journal: The Journal of chemical physics20120721

Title: Oritavancin: mechanism of action.

Journal: Clinical infectious diseases : an official publication of the Infectious Diseases Society of America20120401

Title: Structure and function of the transketolase from Mycobacterium tuberculosis and comparison with the human enzyme.

Journal: Open biology20120101

Title: Force-momentum-based self-guided Langevin dynamics: a rapid sampling method that approaches the canonical ensemble.

Journal: The Journal of chemical physics20111128

Title: A porous silicon optical microcavity for sensitive bacteria detection.

Journal: Nanotechnology20111021

Title: Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent.

Journal: The Journal of chemical physics20111021

Title: Multiple state transition interface sampling of alanine dipeptide in explicit solvent.

Journal: The Journal of chemical physics20111014

Title: Reactivity of alanylalanine diastereoisomers in neutral and acid aqueous solutions: a versatile stereoselectivity.

Journal: Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life20111001

Title: Clonal structure of Streptococcus sanguinis strains isolated from endocarditis cases and the oral cavity.

Journal: Molecular oral microbiology20111001

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