1-(2-methyl-4-oxidanylidene-4-phenyl-3-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanylidene-4-phenyl-3-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-4-oxo-4-phenyl-3-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1,4-dioxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-4-oxo-4-phenyl-3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-keto-3-mercapto-2-methyl-4-phenyl-butanoyl)proline Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S/c1-10(14(22)13(18)11-6-3-2-4-7-11)15(19)17-9-5-8-12(17)16(20)21/h2-4,6-7,10,12,14,22H,5,8-9H2,1H3,(H,20,21)