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

Systemtic Name: (2S)-2-[(4-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(p-tolylcarbamoylamino)butanoate CAS Name: (2S)-2-[[(4-methylanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(p-tolylcarbamoylamino)butyrate Formula: C13H17N2O3S- MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-9-3-5-10(6-4-9)14-13(18)15-11(12(16)17)7-8-19-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m0/s1