(2S)-2-[(4-methylphenyl)carbonylamino]-4-sulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)carbonylamino]-4-sulfanyl-butanoic acid Openeye Name: (2S)-2-[(4-methylbenzoyl)amino]-4-sulfanyl-butanoic acid CAS Name: (2S)-4-mercapto-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-2-[(4-methylbenzoyl)amino]-4-sulfanylbutanoic acid Traditional Name: (2S)-4-mercapto-2-(p-toluoylamino)butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-8-2-4-9(5-3-8)11(14)13-10(6-7-17)12(15)16/h2-5,10,17H,6-7H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1