(2S)-2-[(3,5-dimethylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-4-(methylthio)butyrate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9-6-10(2)8-11(7-9)13(16)15-12(14(17)18)4-5-19-3/h6-8,12H,4-5H2,1-3H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1