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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)N1C=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

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