5-phenyl-1-[2-[[3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-phenyl-1-[2-[[3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-benzoylsulfanyl-3-phenyl-propanoyl)amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-(benzoylthio)-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-benzoylsulfanyl-3-phenylpropanoyl)amino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-(benzoylthio)-3-phenyl-propanoyl]amino]acetyl]-5-phenyl-proline Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=CC=C3)SC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=CC=C3)SC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H28N2O5S/c32-26(31-23(16-17-24(31)28(34)35)21-12-6-2-7-13-21)19-30-27(33)25(18-20-10-4-1-5-11-20)37-29(36)22-14-8-3-9-15-22/h1-15,23-25H,16-19H2,(H,30,33)(H,34,35)