4-[[2-(2-methylphenyl)-3-sulfanyl-butanoyl]amino]-2-oxidanyl-butanoic acid

Systemtic Name: 4-[[2-(2-methylphenyl)-3-sulfanyl-butanoyl]amino]-2-oxidanyl-butanoic acid Openeye Name: 2-hydroxy-4-[[2-(o-tolyl)-3-sulfanyl-butanoyl]amino]butanoic acid CAS Name: 2-hydroxy-4-[[3-mercapto-2-(2-methylphenyl)-1-oxobutyl]amino]butanoic acid IUPAC Name: 2-hydroxy-4-[[2-(2-methylphenyl)-3-sulfanylbutanoyl]amino]butanoic acid Traditional Name: 2-hydroxy-4-[[3-mercapto-2-(o-tolyl)butanoyl]amino]butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(C)S)C(=O)NCCC(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(C(C)S)C(=O)NCCC(C(=O)O)O

InChI

InChI=1S/C15H21NO4S/c1-9-5-3-4-6-11(9)13(10(2)21)14(18)16-8-7-12(17)15(19)20/h3-6,10,12-13,17,21H,7-8H2,1-2H3,(H,16,18)(H,19,20)