cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-4-[2-phenyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-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-[2-phenyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-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-(2-phenyl-6-thiazol-2-ylsulfanyl-pyrimidin-4-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-[[2-phenyl-6-(2-thiazolylthio)-4-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-[2-phenyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-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-[2-phenyl-6-(thiazol-2-ylthio)pyrimidin-4-yl]oxy-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid cyclopentyl ester Formula: C39H47N7O8S3 MolecularWeight: 838.02758

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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)C5=CC=CC=C5)SC6=NC=CS6)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=CC(=NC(=N4)C5=CC=CC=C5)SC6=NC=CS6)NC(=O)OC7CCCC7

InChI

InChI=1S/C39H47N7O8S3/c1-5-24-21-39(24,35(49)45-57(51,52)27-15-16-27)44-33(47)28-19-26(22-46(28)34(48)31(38(2,3)4)43-36(50)54-25-13-9-10-14-25)53-29-20-30(56-37-40-17-18-55-37)42-32(41-29)23-11-7-6-8-12-23/h5-8,11-12,17-18,20,24-28,31H,1,9-10,13-16,19,21-22H2,2-4H3,(H,43,50)(H,44,47)(H,45,49)/t24-,26-,28+,31-,39-/m1/s1