(S)-1-((S)-2-(2-Benzamidoacetamido)propanoyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-((S)-2-(2-Benzamidoacetamido)propanoyl)pyrrolidine-2-carboxylic acid
• CAS No.: 73167-84-7
• Molecular Formula: C17H21 N3 O5
• Molecular Weight: 347.37
• DSSTox Substance ID: DTXSID40703609
• Nikkaji Number: J431.587A
• Wikidata: Q82635805
• Mol file: 73167-84-7.mol

Synonyms:73167-84-7;Bz-Gly-Ala-Pro;BENZOYLGLYCYL-L-ALANYL-L-PROLINE;(S)-1-((S)-2-(2-Benzamidoacetamido)propanoyl)pyrrolidine-2-carboxylic acid;DTXSID40703609;N-Benzoylglycyl-L-alanyl-L-proline

Chemical Property of (S)-1-((S)-2-(2-Benzamidoacetamido)propanoyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• PSA: 115.81000
• LogP: 0.71640
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 347.14812078
• Heavy Atom Count: 25
• Complexity: 530

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2
• Isomeric SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2