cyclopentyl N-[(2S)-1-[(2S,4R)-4-(5-chloranyl-6-methoxy-isoquinolin-1-yl)oxy-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: cyclopentyl N-[(2S)-1-[(2S,4R)-4-(5-chloranyl-6-methoxy-isoquinolin-1-yl)oxy-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: cyclopentyl N-[(1S)-1-[(2S,4R)-4-[(5-chloro-6-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2R)-1-(cyclopropoxysulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S,4R)-4-[(5-chloro-6-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2R)-1-[(cyclopropyloxysulfonylamino)-oxomethyl]-2-ethylcyclopropyl]amino]-oxomethyl]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid cyclopentyl ester IUPAC Name: cyclopentyl N-[(2S)-1-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S,4R)-4-[(5-chloro-6-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2R)-1-(cyclopropoxysulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid cyclopentyl ester Formula: C36H48ClN5O10S MolecularWeight: 778.31182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(C(=O)NS(=O)(=O)OC2CC2)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)OC4CCCC4)OC5=NC=CC6=C5C=CC(=C6Cl)OC

Isomeric SMILES

CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)OC2CC2)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)OC5=NC=CC6=C5C=CC(=C6Cl)OC

InChI

InChI=1S/C36H48ClN5O10S/c1-6-20-18-36(20,33(45)41-53(47,48)52-22-11-12-22)40-30(43)26-17-23(50-31-25-13-14-27(49-5)28(37)24(25)15-16-38-31)19-42(26)32(44)29(35(2,3)4)39-34(46)51-21-9-7-8-10-21/h13-16,20-23,26,29H,6-12,17-19H2,1-5H3,(H,39,46)(H,40,43)(H,41,45)/t20-,23-,26+,29-,36-/m1/s1