(4R)-1-[(2S)-2-[[(2S)-2-benzamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-N-[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-4-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (4R)-1-[(2S)-2-[[(2S)-2-benzamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-N-[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-4-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: (4R)-1-[(2S)-2-[[(2S)-2-benzamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide CAS Name: (4R)-1-[(2S)-2-[[(2S)-2-benzamido-2-cyclohexyl-1-oxoethyl]amino]-3-methyl-1-oxobutyl]-N-[(1R,2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-(difluoromethyl)cyclopropyl]-4-[5-(4-methoxyphenyl)-2-tetrazolyl]-2-pyrrolidinecarboxamide IUPAC Name: (4R)-1-[(2S)-2-[[(2S)-2-benzamido-2-cyclohexylacetyl]amino]-3-methylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: (4R)-1-[(2S)-2-[[(2S)-2-benzamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Formula: C41H51F2N9O8S MolecularWeight: 867.960946

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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)C7=CC=CC=C7

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)C7=CC=CC=C7

InChI

InChI=1S/C41H51F2N9O8S/c1-23(2)32(44-38(55)33(24-10-6-4-7-11-24)45-36(53)26-12-8-5-9-13-26)39(56)51-22-27(52-48-35(47-50-52)25-14-16-28(60-3)17-15-25)20-31(51)37(54)46-41(21-30(41)34(42)43)40(57)49-61(58,59)29-18-19-29/h5,8-9,12-17,23-24,27,29-34H,4,6-7,10-11,18-22H2,1-3H3,(H,44,55)(H,45,53)(H,46,54)(H,49,57)/t27-,30+,31?,32+,33+,41-/m1/s1