(2S)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C11H15ClN2O3S MolecularWeight: 290.7664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(CCSC)C(=O)O)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N[C@@H](CCSC)C(=O)O)Cl

InChI

InChI=1S/C11H15ClN2O3S/c1-14-6-7(12)5-9(14)10(15)13-8(11(16)17)3-4-18-2/h5-6,8H,3-4H2,1-2H3,(H,13,15)(H,16,17)/t8-/m0/s1