(2S,4R)-4-(7-chloranyl-4-methoxy-isoquinolin-1-yl)oxy-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-N-[(2R)-2-[(3-methoxyphenyl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(7-chloranyl-4-methoxy-isoquinolin-1-yl)oxy-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-N-[(2R)-2-[(3-methoxyphenyl)amino]-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-N-[(2R)-2-(3-methoxyanilino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-1-[(1R,2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-N-[(2R)-2-(3-methoxyanilino)-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-N-[(2R)-2-(3-methoxyanilino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-1-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-N-[(2R)-2-(m-anisidino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxamide Formula: C37H44ClN5O8S MolecularWeight: 754.29196

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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=C(C5=C4C=C(C=C5)Cl)OC)NC6=CC(=CC=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=C(C5=C4C=C(C=C5)Cl)OC)NC6=CC(=CC=C6)OC

InChI

InChI=1S/C37H44ClN5O8S/c1-7-21-18-37(21,35(46)42-52(47,48)26-12-13-26)43-20-25(51-34-28-15-22(38)11-14-27(28)30(50-6)19-39-34)17-29(43)32(44)41-33(45)31(36(2,3)4)40-23-9-8-10-24(16-23)49-5/h7-11,14-16,19,21,25-26,29,31,40H,1,12-13,17-18,20H2,2-6H3,(H,42,46)(H,41,44,45)/t21-,25-,29+,31+,37-/m1/s1