1-[2-(carboxymethylsulfanyl)-4-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(carboxymethylsulfanyl)-4-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(carboxymethylsulfanyl)-4-oxo-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(carboxymethylthio)-1,4-dioxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(carboxymethylsulfanyl)-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(carboxymethylthio)-4-keto-4-phenyl-butanoyl]proline Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)C2=CC=CC=C2)SCC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)C2=CC=CC=C2)SCC(=O)O)C(=O)O

InChI

InChI=1S/C17H19NO6S/c19-13(11-5-2-1-3-6-11)9-14(25-10-15(20)21)16(22)18-8-4-7-12(18)17(23)24/h1-3,5-6,12,14H,4,7-10H2,(H,20,21)(H,23,24)