(4R)-N-[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-propan-2-yloxyethylamino)butanoyl]-4-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (4R)-N-[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-propan-2-yloxyethylamino)butanoyl]-4-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: (4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(2-isopropoxyethylamino)-3,3-dimethyl-butanoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide CAS Name: (4R)-N-[(1R,2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-(difluoromethyl)cyclopropyl]-1-[(2S)-3,3-dimethyl-1-oxo-2-(2-propan-2-yloxyethylamino)butyl]-4-[5-(4-methoxyphenyl)-2-tetrazolyl]-2-pyrrolidinecarboxamide IUPAC Name: (4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-propan-2-yloxyethylamino)butanoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: (4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(2-isopropoxyethylamino)-3,3-dimethyl-butanoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Formula: C32H46F2N8O7S MolecularWeight: 724.818846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCNC(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)C(C)(C)C

Isomeric SMILES

CC(C)OCCN[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)C(C)(C)C

InChI

InChI=1S/C32H46F2N8O7S/c1-18(2)49-14-13-35-25(31(3,4)5)29(44)41-17-20(42-38-27(37-40-42)19-7-9-21(48-6)10-8-19)15-24(41)28(43)36-32(16-23(32)26(33)34)30(45)39-50(46,47)22-11-12-22/h7-10,18,20,22-26,35H,11-17H2,1-6H3,(H,36,43)(H,39,45)/t20-,23+,24?,25-,32-/m1/s1