1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2,3-bis(benzoylsulfanyl)propanoyl]-2-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2,3-bis(benzoylthio)-1-oxopropyl]-2-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2,3-bis(benzoylsulfanyl)propanoyl]-2-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2,3-bis(benzoylthio)propanoyl]-2-prolyl-proline Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2(CCCN2C(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)C2(CCCN2C(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H28N2O6S2/c30-22(20-13-7-15-28-20)27(26(34)35)14-8-16-29(27)23(31)21(37-25(33)19-11-5-2-6-12-19)17-36-24(32)18-9-3-1-4-10-18/h1-6,9-12,20-21,28H,7-8,13-17H2,(H,34,35)