2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(1,5-dimethyl-2-pyrrolyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-mesyl-butyric acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(N1C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H18N2O5S/c1-8-4-5-10(14(8)2)11(15)13-9(12(16)17)6-7-20(3,18)19/h4-5,9H,6-7H2,1-3H3,(H,13,15)(H,16,17)