tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(2S,4R)-4-[(6-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-[(1-methylcyclopropoxy)sulfonylcarbamoyl]-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S,4R)-2-[[[(1R,2S)-2-ethenyl-1-[[(1-methylcyclopropyl)oxysulfonylamino]-oxomethyl]cyclopropyl]amino]-oxomethyl]-4-[(6-methoxy-1-isoquinolinyl)oxy]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S,4R)-4-[(6-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-[(1-methylcyclopropoxy)sulfonylcarbamoyl]-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C36H49N5O10S MolecularWeight: 743.86676

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)OS(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)OC4=NC=CC5=C4C=CC(=C5)OC

Isomeric SMILES

CC1(CC1)OS(=O)(=O)NC(=O)[C@]2(C[C@H]2C=C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)OC4=NC=CC5=C4C=CC(=C5)OC

InChI

InChI=1S/C36H49N5O10S/c1-10-22-19-36(22,31(44)40-52(46,47)51-35(8)14-15-35)39-28(42)26-18-24(49-29-25-12-11-23(48-9)17-21(25)13-16-37-29)20-41(26)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h10-13,16-17,22,24,26-27H,1,14-15,18-20H2,2-9H3,(H,38,45)(H,39,42)(H,40,44)/t22-,24-,26+,27-,36-/m1/s1