(2S)-2-[(3-methyl-2-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3-methyl-2-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-hydroxy-3-methyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-hydroxy-3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-hydroxy-3-methyl-benzoyl)amino]-4-(methylthio)butyrate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C13H17NO4S/c1-8-4-3-5-9(11(8)15)12(16)14-10(13(17)18)6-7-19-2/h3-5,10,15H,6-7H2,1-2H3,(H,14,16)(H,17,18)/p-1/t10-/m0/s1