cyclopentyl N-[(2S)-1-[(2S,4R)-4-[6-chloranyl-2-[(2-fluorophenyl)amino]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-[(2-fluorophenyl)amino]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-(2-fluoroanilino)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-(2-fluoroanilino)-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-(2-fluoroanilino)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-(2-fluoroanilino)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: C36H45ClFN7O8S MolecularWeight: 790.301003

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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)NC5=CC=CC=C5F)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)NC5=CC=CC=C5F)Cl)NC(=O)OC6CCCC6

InChI

InChI=1S/C36H45ClFN7O8S/c1-5-20-18-36(20,32(48)44-54(50,51)23-14-15-23)43-30(46)26-16-22(52-28-17-27(37)40-33(41-28)39-25-13-9-8-12-24(25)38)19-45(26)31(47)29(35(2,3)4)42-34(49)53-21-10-6-7-11-21/h5,8-9,12-13,17,20-23,26,29H,1,6-7,10-11,14-16,18-19H2,2-4H3,(H,42,49)(H,43,46)(H,44,48)(H,39,40,41)/t20-,22-,26+,29-,36-/m1/s1