methyl 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-methyl-1-oxidanylidene-butan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate

Systemtic Name: methyl 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-methyl-1-oxidanylidene-butan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate Openeye Name: methyl 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-methyl-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-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl 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-methyl-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-methyl-propyl]amino]-2-keto-ethyl]carbamic acid methyl ester Formula: C36H49F2N9O9S MolecularWeight: 821.890966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(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

Isomeric SMILES

CC(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

InChI

InChI=1S/C36H49F2N9O9S/c1-19(2)27(39-32(49)28(40-35(52)56-4)20-8-6-5-7-9-20)33(50)46-18-22(47-43-30(42-45-47)21-10-12-23(55-3)13-11-21)16-26(46)31(48)41-36(17-25(36)29(37)38)34(51)44-57(53,54)24-14-15-24/h10-13,19-20,22,24-29H,5-9,14-18H2,1-4H3,(H,39,49)(H,40,52)(H,41,48)(H,44,51)/t22-,25+,26?,27+,28+,36-/m1/s1