ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C38H53F2N9O9S MolecularWeight: 849.944126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C38H53F2N9O9S/c1-6-58-36(54)41-28(21-10-8-7-9-11-21)33(51)42-29(37(2,3)4)34(52)48-20-23(49-45-31(44-47-49)22-12-14-24(57-5)15-13-22)18-27(48)32(50)43-38(19-26(38)30(39)40)35(53)46-59(55,56)25-16-17-25/h12-15,21,23,25-30H,6-11,16-20H2,1-5H3,(H,41,54)(H,42,51)(H,43,50)(H,46,53)/t23-,26+,27?,28+,29-,38-/m1/s1