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

Systemtic Name: 2-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-mesyl-butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-7(15)8-5-10(13-6-8)11(16)14-9(12(17)18)3-4-21(2,19)20/h5-6,9,13H,3-4H2,1-2H3,(H,14,16)(H,17,18)