(4R)-N-[(1R,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-3,3-dimethyl-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)-2-(3,3-dimethylbutylamino)-3,3-dimethyl-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-(3,3-dimethylbutylamino)-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)-2-(3,3-dimethylbutylamino)-3,3-dimethyl-1-oxobutyl]-4-[5-(4-methoxyphenyl)-2-tetrazolyl]-2-pyrrolidinecarboxamide IUPAC Name: (4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: (4R)-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-3,3-dimethyl-butanoyl]-4-[5-(4-methoxyphenyl)tetrazol-2-yl]pyrrolidine-2-carboxamide Formula: C33H48F2N8O6S MolecularWeight: 722.846026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(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)(C)CCN[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/C33H48F2N8O6S/c1-31(2,3)14-15-36-25(32(4,5)6)29(45)42-18-20(43-39-27(38-41-43)19-8-10-21(49-7)11-9-19)16-24(42)28(44)37-33(17-23(33)26(34)35)30(46)40-50(47,48)22-12-13-22/h8-11,20,22-26,36H,12-18H2,1-7H3,(H,37,44)(H,40,46)/t20-,23+,24?,25-,33-/m1/s1