2-(2-azanyl-3-methyl-butanoyl)-1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanyl-3-methyl-butanoyl)-1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-amino-3-methyl-butanoyl)-1-[2,3-bis(benzoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-3-methyl-1-oxobutyl)-1-[2,3-bis(benzoylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-amino-3-methylbutanoyl)-1-[2,3-bis(benzoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-(2-amino-3-methyl-butanoyl)-1-[2,3-bis(benzoylthio)propanoyl]proline Formula: C27H30N2O6S2 MolecularWeight: 542.6669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1(CCCN1C(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C1(CCCN1C(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C27H30N2O6S2/c1-17(2)21(28)22(30)27(26(34)35)14-9-15-29(27)23(31)20(37-25(33)19-12-7-4-8-13-19)16-36-24(32)18-10-5-3-6-11-18/h3-8,10-13,17,20-21H,9,14-16,28H2,1-2H3,(H,34,35)