(2S)-2-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c1-7(15)8-5-10(13-6-8)11(16)14-9(12(17)18)3-4-19-2/h5-6,9,13H,3-4H2,1-2H3,(H,14,16)(H,17,18)/t9-/m0/s1