(2S)-2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1,5-dimethyl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-(methylthio)butyrate Formula: C12H17N2O3S- MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(N1C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C12H18N2O3S/c1-8-4-5-10(14(8)2)11(15)13-9(12(16)17)6-7-18-3/h4-5,9H,6-7H2,1-3H3,(H,13,15)(H,16,17)/p-1/t9-/m0/s1