4-(4-methylphenyl)-2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-methylphenyl)-2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-[[1-carboxy-3-(methylthio)propyl]amino]-4-keto-4-(p-tolyl)butyric acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NC(CCSC)C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-10-3-5-11(6-4-10)14(18)9-13(16(21)22)17-12(15(19)20)7-8-23-2/h3-6,12-13,17H,7-9H2,1-2H3,(H,19,20)(H,21,22)