propan-2-yl N-[(1R)-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: propan-2-yl N-[(1R)-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: isopropyl N-[(1R)-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-[(1R)-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 propan-2-yl ester IUPAC Name: propan-2-yl N-[(1R)-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-[(1R)-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 isopropyl ester Formula: C39H55F2N9O9S MolecularWeight: 863.970706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC(C1CCCCC1)C(=O)NC(C(=O)N2CC(CC2C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4CC4)N5N=C(N=N5)C6=CC=C(C=C6)OC)C(C)(C)C

Isomeric SMILES

CC(C)OC(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](C(=O)N2C[C@@H](CC2C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4CC4)N5N=C(N=N5)C6=CC=C(C=C6)OC)C(C)(C)C

InChI

InChI=1S/C39H55F2N9O9S/c1-21(2)59-37(55)42-29(22-10-8-7-9-11-22)34(52)43-30(38(3,4)5)35(53)49-20-24(50-46-32(45-48-50)23-12-14-25(58-6)15-13-23)18-28(49)33(51)44-39(19-27(39)31(40)41)36(54)47-60(56,57)26-16-17-26/h12-15,21-22,24,26-31H,7-11,16-20H2,1-6H3,(H,42,55)(H,43,52)(H,44,51)(H,47,54)/t24-,27+,28?,29-,30-,39-/m1/s1