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

Systemtic Name: (2S)-2-[2-(2-methylphenyl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(o-tolyl)acetyl]amino]butanoate CAS Name: (2S)-2-[[2-(2-methylphenyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(2-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(o-tolyl)acetyl]amino]butyrate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-10-5-3-4-6-11(10)9-13(16)15-12(14(17)18)7-8-19-2/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1