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

Systemtic Name: cyclopentyl N-[(2S)-1-[(2S,4R)-4-[6-chloranyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-yl]oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: cyclopentyl N-[(1S)-1-[(2S,4R)-4-[6-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-yl]oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S,4R)-4-[[6-chloro-2-(1,3,4-thiadiazol-2-ylthio)-4-pyrimidinyl]oxy]-2-[[[(1R,2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid cyclopentyl ester IUPAC Name: cyclopentyl N-[(2S)-1-[(2S,4R)-4-[6-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-yl]oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S,4R)-4-[6-chloro-2-(1,3,4-thiadiazol-2-ylthio)pyrimidin-4-yl]oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid cyclopentyl ester Formula: C32H41ClN8O8S3 MolecularWeight: 797.36474

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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=CC(=NC(=N4)SC5=NN=CS5)Cl)NC(=O)OC6CCCC6

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=CC(=NC(=N4)SC5=NN=CS5)Cl)NC(=O)OC6CCCC6

InChI

InChI=1S/C32H41ClN8O8S3/c1-5-17-14-32(17,27(44)40-52(46,47)20-10-11-20)38-25(42)21-12-19(48-23-13-22(33)35-28(36-23)51-30-39-34-16-50-30)15-41(21)26(43)24(31(2,3)4)37-29(45)49-18-8-6-7-9-18/h5,13,16-21,24H,1,6-12,14-15H2,2-4H3,(H,37,45)(H,38,42)(H,40,44)/t17-,19-,21+,24-,32-/m1/s1