3-[4-(2-methoxyphenyl)-3-(pyridin-3-ylsulfonylamino)-2-pyrrolidin-2-ylcarbonyl-phenyl]propanoic acid

Systemtic Name: 3-[4-(2-methoxyphenyl)-3-(pyridin-3-ylsulfonylamino)-2-pyrrolidin-2-ylcarbonyl-phenyl]propanoic acid Openeye Name: 3-[4-(2-methoxyphenyl)-3-(3-pyridylsulfonylamino)-2-(pyrrolidine-2-carbonyl)phenyl]propanoic acid CAS Name: 3-[4-(2-methoxyphenyl)-2-[oxo(2-pyrrolidinyl)methyl]-3-(3-pyridinylsulfonylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(2-methoxyphenyl)-3-(pyridin-3-ylsulfonylamino)-2-(pyrrolidine-2-carbonyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-methoxyphenyl)-2-prolyl-3-(3-pyridylsulfonylamino)phenyl]propionic acid Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C(=C(C=C2)CCC(=O)O)C(=O)C3CCCN3)NS(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=C(C(=C(C=C2)CCC(=O)O)C(=O)C3CCCN3)NS(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H27N3O6S/c1-35-22-9-3-2-7-19(22)20-12-10-17(11-13-23(30)31)24(26(32)21-8-5-15-28-21)25(20)29-36(33,34)18-6-4-14-27-16-18/h2-4,6-7,9-10,12,14,16,21,28-29H,5,8,11,13,15H2,1H3,(H,30,31)