1-(2-methyl-4-oxidanylidene-5-phenyl-pentanoyl)-4-methylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanylidene-5-phenyl-pentanoyl)-4-methylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-4-oxo-5-phenyl-pentanoyl)-4-methylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-(2-methyl-1,4-dioxo-5-phenylpentyl)-4-(methylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-4-oxo-5-phenylpentanoyl)-4-methylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-(4-keto-2-methyl-5-phenyl-pentanoyl)-4-(methylthio)proline Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC

Isomeric SMILES

CC(CC(=O)CC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC

InChI

InChI=1S/C18H23NO4S/c1-12(8-14(20)9-13-6-4-3-5-7-13)17(21)19-11-15(24-2)10-16(19)18(22)23/h3-7,12,15-16H,8-11H2,1-2H3,(H,22,23)