Home Other Building Blocks 19701-83-8
19701-83-8,MFCD00038238
Catalog No.:AA00AKQX

19701-83-8 | Ac-ala-nhme

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250mg
98%
in stock  
$87.00   $61.00
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1g
98%
in stock  
$220.00   $154.00
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5g
98%
in stock  
$859.00   $602.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AKQX
Chemical Name:
Ac-ala-nhme
CAS Number:
19701-83-8
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.1717
MDL Number:
MFCD00038238
SMILES:
CNC(=O)[C@@H](NC(=O)C)C
Properties
Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
-1.2  

Downstream Synthesis Route

[1]Applewhite;Niemann[JournaloftheAmericanChemicalSociety,1959,vol.81,p.2208,2213]

[1]JournalofMolecularStructure,1994,vol.317,p.119-129

Literature

Title: A local-mode model for understanding the dependence of the extended amide III vibrations on protein secondary structure.

Journal: The journal of physical chemistry. B 20100819

Title: Conformational properties of the residues connected by ester and methylated amide bonds: theoretical and solid state conformational studies.

Journal: Journal of peptide science : an official publication of the European Peptide Society 20100301

Title: Unravelling the conformational dynamics of the aqueous alanine dipeptide with first-principle molecular dynamics.

Journal: The journal of physical chemistry. B 20090730

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

Journal: PLoS computational biology 20090601

Title: Amide I bands of terminally blocked alanine in solutions investigated by infrared spectroscopy and density functional theory calculation: hydrogen-bonding interactions and solvent effects.

Journal: The journal of physical chemistry. B 20090514

Title: Characterizing aqueous solution conformations of a peptide backbone using Raman optical activity computations.

Journal: Biophysical journal 20081215

Title: The microwave spectrum of a two-top peptide mimetic: the N-acetyl alanine methyl ester molecule.

Journal: The Journal of chemical physics 20060914

Title: The Ramachandran plots of glycine and pre-proline.

Journal: BMC structural biology 20050101

Title: The respective N-hydroxypyrazole analogues of the classical glutamate receptor ligands ibotenic acid and (RS)-2-amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid.

Journal: European journal of pharmacology 20040919

Title: Temperature and pressure effects on conformational equilibria of alanine dipeptide in aqueous solution.

Journal: Biopolymers 20040205

Title: Quantum mechanics simulation of protein dynamics on long timescale.

Journal: Proteins 20010901

Title: Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states.

Journal: Physical review. E, Statistical, nonlinear, and soft matter physics 20010801

Title: Synthesis, X-ray crystallographic structures of thio substituted N-acetyl N'-methylamide alanine and evaluation of sp sulfur parameters of the CFF91 force field.

Journal: The journal of peptide research : official journal of the American Peptide Society 20010701

Title: A new highly selective metabotropic excitatory amino acid agonist: 2-amino-4-(3-hydroxy-5-methylisoxazol-4-yl)butyric acid.

Journal: Journal of medicinal chemistry 19960802

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SDS
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