2-[(1-cyclopropylpyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(1-cyclopropylpyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(1-cyclopropyl-2-pyrrolyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-4-mesyl-butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=CN1C2CC2

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=CN1C2CC2

InChI

InChI=1S/C13H18N2O5S/c1-21(19,20)8-6-10(13(17)18)14-12(16)11-3-2-7-15(11)9-4-5-9/h2-3,7,9-10H,4-6,8H2,1H3,(H,14,16)(H,17,18)