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

Systemtic Name: 4-methylsulfonyl-2-[(1-propylpyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo-(1-propyl-2-pyrrolyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[(1-propylpyrrole-2-carbonyl)amino]butyric acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCN1C=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H20N2O5S/c1-3-7-15-8-4-5-11(15)12(16)14-10(13(17)18)6-9-21(2,19)20/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,16)(H,17,18)