(2S)-2-[(2,3-dimethylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(2,3-dimethylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(2,3-dimethylbenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2,3-dimethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(2,3-dimethylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(2,3-dimethylbenzoyl)amino]-4-(methylthio)butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-9-5-4-6-11(10(9)2)13(16)15-12(14(17)18)7-8-19-3/h4-6,12H,7-8H2,1-3H3,(H,15,16)(H,17,18)/t12-/m0/s1