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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

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

InChI

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