(2S)-1-[(2S)-1-[4-oxo-6-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (2S)-1-[(2S)-1-[4-oxo-6-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
• CAS No.: 121822-29-5
• Molecular Formula: C31H35N3O6
• Molecular Weight: 0
• Mol file: 121822-29-5.mol

Synonyms:(5-cinnamido-4-oxo-6-phenylhexanoyl)prolyl-proline;cinnamoyl-Phe-(C)Gly-Pro-Pro

Chemical Property of (2S)-1-[(2S)-1-[4-oxo-6-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.98E-32mmHg at 25°C
• Boiling Point: 869°Cat760mmHg
• Flash Point: 479.4°C
• PSA: 127.58000
• Density: 1.291g/cm³
• LogP: 3.55930
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 545.25258584
• Heavy Atom Count: 40
• Complexity: 953

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)CCC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)O
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)CCC(=O)C(CC2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)O