1-(2-acetamido-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-acetamido-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxamide Openeye Name: 1-(2-acetamido-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxamide CAS Name: 1-(2-acetamido-3,3-dimethyl-1-oxobutyl)-N-[1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-3,3-dimethylbutanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxamide Traditional Name: 1-(2-acetamido-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxamide Formula: C38H45N5O8S MolecularWeight: 731.8576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)C(C)(C)C

Isomeric SMILES

CC(=O)NC(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)C(C)(C)C

InChI

InChI=1S/C38H45N5O8S/c1-7-24-20-38(24,36(47)42-52(48,49)27-14-15-27)41-34(45)31-18-26(21-43(31)35(46)33(37(3,4)5)39-22(2)44)51-32-19-29(23-11-9-8-10-12-23)40-30-17-25(50-6)13-16-28(30)32/h7-13,16-17,19,24,26-27,31,33H,1,14-15,18,20-21H2,2-6H3,(H,39,44)(H,41,45)(H,42,47)