2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(2-pyrrolidin-2-ylcarbonylphenyl)propanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(2-pyrrolidin-2-ylcarbonylphenyl)propanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-[2-(pyrrolidine-2-carbonyl)phenyl]propanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-[2-[oxo(2-pyrrolidinyl)methyl]phenyl]propanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-[2-(pyrrolidine-2-carbonyl)phenyl]propanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-3-(2-prolylphenyl)propionic acid Formula: C31H30N2O6S2 MolecularWeight: 590.7097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2=CC=CC=C2CC(C(=O)O)NC(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(NC1)C(=O)C2=CC=CC=C2CC(C(=O)O)NC(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H30N2O6S2/c34-27(24-16-9-17-32-24)23-15-8-7-14-22(23)18-25(29(36)37)33-28(35)26(41-31(39)21-12-5-2-6-13-21)19-40-30(38)20-10-3-1-4-11-20/h1-8,10-15,24-26,32H,9,16-19H2,(H,33,35)(H,36,37)