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

Systemtic Name: 1-[2-(carboxymethylsulfanyl)-2-methyl-4-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(carboxymethylsulfanyl)-2-methyl-4-oxo-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(carboxymethylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(carboxymethylsulfanyl)-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(carboxymethylthio)-4-keto-2-methyl-4-phenyl-butanoyl]proline Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=C1)(C(=O)N2CCCC2C(=O)O)SCC(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=CC=C1)(C(=O)N2CCCC2C(=O)O)SCC(=O)O

InChI

InChI=1S/C18H21NO6S/c1-18(26-11-15(21)22,10-14(20)12-6-3-2-4-7-12)17(25)19-9-5-8-13(19)16(23)24/h2-4,6-7,13H,5,8-11H2,1H3,(H,21,22)(H,23,24)