(4R)-N-[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-3,3-dimethyl-2-[3,3,3-tris(fluoranyl)propylamino]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-[3,3,3-tris(fluoranyl)propylamino]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)-3,3-dimethyl-2-(3,3,3-trifluoropropylamino)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-(3,3,3-trifluoropropylamino)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-(3,3,3-trifluoropropylamino)butanoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: (4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-3,3-dimethyl-2-(3,3,3-trifluoropropylamino)butanoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Formula: C30H39F5N8O6S MolecularWeight: 734.737676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)NCCC(F)(F)F

Isomeric SMILES

CC(C)(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)NCCC(F)(F)F

InChI

InChI=1S/C30H39F5N8O6S/c1-28(2,3)22(36-12-11-30(33,34)35)26(45)42-15-17(43-39-24(38-41-43)16-5-7-18(49-4)8-6-16)13-21(42)25(44)37-29(14-20(29)23(31)32)27(46)40-50(47,48)19-9-10-19/h5-8,17,19-23,36H,9-15H2,1-4H3,(H,37,44)(H,40,46)/t17-,20+,21?,22-,29-/m1/s1