(2S,4R)-N-[(1S,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-2-(2-cyclopentylethylamino)-3,3-dimethyl-butanoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-[(1S,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-2-(2-cyclopentylethylamino)-3,3-dimethyl-butanoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(2S)-2-(2-cyclopentylethylamino)-3,3-dimethyl-butanoyl]-N-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-[(2S)-2-(2-cyclopentylethylamino)-3,3-dimethyl-1-oxobutyl]-N-[(1S,2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-(difluoromethyl)cyclopropyl]-4-(9-fluorenylideneamino)oxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-[(2S)-2-(2-cyclopentylethylamino)-3,3-dimethylbutanoyl]-N-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-[(2S)-2-(2-cyclopentylethylamino)-3,3-dimethyl-butanoyl]-N-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide Formula: C39H49F2N5O6S MolecularWeight: 753.898066

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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)ON=C4C5=CC=CC=C5C6=CC=CC=C64)NCCC7CCCC7

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)ON=C4C5=CC=CC=C5C6=CC=CC=C64)NCCC7CCCC7

InChI

InChI=1S/C39H49F2N5O6S/c1-38(2,3)33(42-19-18-23-10-4-5-11-23)36(48)46-22-24(52-44-32-28-14-8-6-12-26(28)27-13-7-9-15-29(27)32)20-31(46)35(47)43-39(21-30(39)34(40)41)37(49)45-53(50,51)25-16-17-25/h6-9,12-15,23-25,30-31,33-34,42H,4-5,10-11,16-22H2,1-3H3,(H,43,47)(H,45,49)/t24-,30+,31+,33-,39+/m1/s1