(2S)-2-[(4-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(p-toluoylamino)butyrate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9-3-5-10(6-4-9)12(15)14-11(13(16)17)7-8-18-2/h3-6,11H,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1