(2S,4R)-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-(6-methoxyisoquinolin-1-yl)oxy-N-[(2R)-2-[(6-methoxypyridin-3-yl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-(6-methoxyisoquinolin-1-yl)oxy-N-[(2R)-2-[(6-methoxypyridin-3-yl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-[(6-methoxy-1-isoquinolyl)oxy]-N-[(2R)-2-[(6-methoxy-3-pyridyl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-[(1R,2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-4-[(6-methoxy-1-isoquinolinyl)oxy]-N-[(2R)-2-[(6-methoxy-3-pyridinyl)amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-(6-methoxyisoquinolin-1-yl)oxy-N-[(2R)-2-[(6-methoxypyridin-3-yl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-[(6-methoxy-1-isoquinolyl)oxy]-N-[(2R)-2-[(6-methoxy-3-pyridyl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide Formula: C36H44N6O8S MolecularWeight: 720.83496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(=O)C1CC(CN1C2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=CC5=C4C=CC(=C5)OC)NC6=CN=C(C=C6)OC

Isomeric SMILES

CC(C)(C)[C@H](C(=O)NC(=O)[C@@H]1C[C@H](CN1[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=CC5=C4C=CC(=C5)OC)NC6=CN=C(C=C6)OC

InChI

InChI=1S/C36H44N6O8S/c1-7-22-18-36(22,34(45)41-51(46,47)26-10-11-26)42-20-25(50-33-27-12-9-24(48-5)16-21(27)14-15-37-33)17-28(42)31(43)40-32(44)30(35(2,3)4)39-23-8-13-29(49-6)38-19-23/h7-9,12-16,19,22,25-26,28,30,39H,1,10-11,17-18,20H2,2-6H3,(H,41,45)(H,40,43,44)/t22-,25-,28+,30+,36-/m1/s1