Alanyl-beta-chloroalanine structure

Alanyl-beta-chloroalanine

(2R)-2-[[(2S)-2-amino-3-chloropropanoyl]amino]propanoic acid

Also Known As: diACA|Alanyl-beta-chloroalanine|3-Chloro-D-alanyl-D-alanine|D-Alanine, N-(3-chloro-D-alanyl)-|(2R)-2-[[(2S)-2-amino-3-chloropropanoyl]amino]propanoic acid

CAS: 76572-09-3
Molecular Formula C6H11ClN2O3
Molecular Weight 194.04582 g/mol
LogP -3.0
Topological Polar Surface Area 92.4 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 194.04582
Monoisotopic Mass 194.04582
Heavy Atoms 12
Complexity 186.0

Chemical Identifiers

CAS Number 76572-09-3
SMILES C[C@H](C(=O)O)NC(=O)[C@@H](CCl)N
InChIKey UNSCRPPDIORSTJ-QWWZWVQMSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Organic Building Blocks (2 patents) Pharmaceutical Intermediates (2 patents)

Product Overview

Alanyl-beta-chloroalanine (CAS 76572-09-3), with molecular formula C6H11ClN2O3 and molecular weight 194.04582 g/mol. IUPAC: (2R)-2-[[(2S)-2-amino-3-chloropropanoyl]amino]propanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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