tert-butyl N-[(1S)-2-[[(2S)-1-[(4R)-2-[[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-2-[[(2S)-1-[(4R)-2-[[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-cyclohexyl-2-[[(1S)-1-[(4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(4R)-2-[[[(1R,2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-(difluoromethyl)cyclopropyl]amino]-oxomethyl]-4-[5-(4-methoxyphenyl)-2-tetrazolyl]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[(1S)-1-cyclohexyl-2-[[(1S)-1-[(4R)-2-[[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C40H57F2N9O9S MolecularWeight: 877.997286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C(F)F)C(=O)NS(=O)(=O)C3CC3)N4N=C(N=N4)C5=CC=C(C=C5)OC)NC(=O)C(C6CCCCC6)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)N4N=C(N=N4)C5=CC=C(C=C5)OC)NC(=O)[C@H](C6CCCCC6)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H57F2N9O9S/c1-38(2,3)30(44-34(53)29(22-11-9-8-10-12-22)43-37(56)60-39(4,5)6)35(54)50-21-24(51-47-32(46-49-51)23-13-15-25(59-7)16-14-23)19-28(50)33(52)45-40(20-27(40)31(41)42)36(55)48-61(57,58)26-17-18-26/h13-16,22,24,26-31H,8-12,17-21H2,1-7H3,(H,43,56)(H,44,53)(H,45,52)(H,48,55)/t24-,27+,28?,29+,30-,40-/m1/s1