cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-4-[4-[(4-fluorophenyl)amino]-6-phenyl-pyrimidin-2-yl]oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-4-[4-[(4-fluorophenyl)amino]-6-phenyl-pyrimidin-2-yl]oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: cyclopentyl N-[(1S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[4-(4-fluoroanilino)-6-phenyl-pyrimidin-2-yl]oxy-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S,4R)-2-[[[(1R,2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-4-[[4-(4-fluoroanilino)-6-phenyl-2-pyrimidinyl]oxy]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid cyclopentyl ester IUPAC Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[4-(4-fluoroanilino)-6-phenyl-pyrimidin-2-yl]oxy-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid cyclopentyl ester Formula: C42H50FN7O8S MolecularWeight: 831.951903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC(=CC(=N4)NC5=CC=C(C=C5)F)C6=CC=CC=C6)NC(=O)OC7CCCC7

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC(=CC(=N4)NC5=CC=C(C=C5)F)C6=CC=CC=C6)NC(=O)OC7CCCC7

InChI

InChI=1S/C42H50FN7O8S/c1-5-26-23-42(26,38(53)49-59(55,56)31-19-20-31)48-36(51)33-21-30(24-50(33)37(52)35(41(2,3)4)47-40(54)58-29-13-9-10-14-29)57-39-45-32(25-11-7-6-8-12-25)22-34(46-39)44-28-17-15-27(43)16-18-28/h5-8,11-12,15-18,22,26,29-31,33,35H,1,9-10,13-14,19-21,23-24H2,2-4H3,(H,47,54)(H,48,51)(H,49,53)(H,44,45,46)/t26-,30-,33+,35-,42-/m1/s1