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Home Amines 205393-21-1
205393-21-1,MFCD18252917
Catalog No.:AA0029ZG

205393-21-1 | (Alphas)-alpha-amino-n-[(1r)-1-[(3as,4s,6s,7ar)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]benzenepropanamide hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$60.00   $42.00
- +
250mg
97%
in stock  
$103.00   $72.00
- +
5g
97%
in stock  
$951.00   $666.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0029ZG
Chemical Name:
(Alphas)-alpha-amino-n-[(1r)-1-[(3as,4s,6s,7ar)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]benzenepropanamide hydrochloride
CAS Number:
205393-21-1
Molecular Formula:
C24H38BClN2O3
Molecular Weight:
448.8341
MDL Number:
MFCD18252917
SMILES:
CC(C[C@@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)NC(=O)[C@H](Cc1ccccc1)N)C.Cl
Properties
Computed Properties
 
Complexity:
636  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  

Upstream Synthesis Route

[1]Patent:WO2005/97809,2005,A2,.Locationinpatent:Page/Pagecolumn46-48

[1]Patent:WO2005/97809,2005,A2,.Locationinpatent:Page/Pagecolumn44-45

[1]BioorganicandMedicinalChemistry,2018,vol.26,#14,p.3975-3981

[2]JournalofMedicinalChemistry,2018,

[1]BioorganicandMedicinalChemistry,2018,vol.26,#14,p.3975-3981

Downstream Synthesis Route
98-97-5    205393-21-1   
(1S,2S,3R,5S)-pinanediolL-phenylalanine-L-leucineboronatehydrochloride 
  205393-22-2   
(1S,2S,3R,5S)-pinanediolN-(2-pyrazinecarbonyl)-L-phenylalanine-L-leucineboronate 

[1]Patent:WO2005/97809,2005,A2.Locationinpatent:Page/Pagecolumn46-48

1187479-72-6   
(1S,2S,3R,5S)-pinanediolN-BOC-L-phenylalanine-L-leucineboronate 
  205393-21-1   
(1S,2S,3R,5S)-pinanediolL-phenylalanine-L-leucineboronatehydrochloride 

[1]Patent:WO2005/97809,2005,A2.Locationinpatent:Page/Pagecolumn44-45

205393-21-1    4023-34-1   
N-((S)-1-(((R)-3-methyl-1-((3aS,4S,6R,7aR)-3a-methylhexahydro-4,6-methanobenzod1,3,2dioxaborol-2-yl)butyl)amino)-1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide 

[1]BioorganicandMedicinalChemistry,2018,vol.26,p.3975-3981

[1]BioorganicandMedicinalChemistry,2018,vol.26,p.3975-3981

[2]JournalofMedicinalChemistry,2018,vol.61,p.10053-10066

205393-21-1    2719-27-9   
N-((S)-1-(((R)-3-methyl-1-((3aS,4S,6R,7aR)-3a-methylhexahydro-4,6-methanobenzod1,3,2dioxaborol-2-yl)butyl)amino)-1-oxo-3-phenylpropan-2-yl)cyclohexanecarboxamide 

[1]BioorganicandMedicinalChemistry,2018,vol.26,p.3975-3981

Literature
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Tags:205393-21-1 Molecular Formula|205393-21-1 MDL|205393-21-1 SMILES|205393-21-1 (Alphas)-alpha-amino-n-[(1r)-1-[(3as,4s,6s,7ar)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]benzenepropanamide hydrochloride