1-[5-azanyl-4-oxidanylidene-6-[2-(phenylcarbonyl)phenyl]hexanethioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-azanyl-4-oxidanylidene-6-[2-(phenylcarbonyl)phenyl]hexanethioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-amino-6-(2-benzoylphenyl)-4-oxo-hexanethioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-amino-6-(2-benzoylphenyl)-4-oxo-1-sulfanylidenehexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-amino-6-(2-benzoylphenyl)-4-oxohexanethioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-amino-6-(2-benzoylphenyl)-4-keto-hexanethioyl]proline Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)CCC(=O)C(CC2=CC=CC=C2C(=O)C3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)CCC(=O)C(CC2=CC=CC=C2C(=O)C3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C24H26N2O4S/c25-19(21(27)12-13-22(31)26-14-6-11-20(26)24(29)30)15-17-9-4-5-10-18(17)23(28)16-7-2-1-3-8-16/h1-5,7-10,19-20H,6,11-15,25H2,(H,29,30)