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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)[O-])O

InChI

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