(2S,4R)-N-[(1S,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-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-(3,3-dimethylbutylamino)-3,3-dimethyl-butanoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-3,3-dimethyl-butanoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-[(1S,2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-3,3-dimethyl-1-oxobutyl]-4-(9-fluorenylideneamino)oxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-1-[(2S)-2-(3,3-dimethylbutylamino)-3,3-dimethyl-butanoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide Formula: C38H49F2N5O6S MolecularWeight: 741.887366

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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)ON=C4C5=CC=CC=C5C6=CC=CC=C64)C(C)(C)C

Isomeric SMILES

CC(C)(C)CCN[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)C(C)(C)C

InChI

InChI=1S/C38H49F2N5O6S/c1-36(2,3)17-18-41-31(37(4,5)6)34(47)45-21-22(51-43-30-26-13-9-7-11-24(26)25-12-8-10-14-27(25)30)19-29(45)33(46)42-38(20-28(38)32(39)40)35(48)44-52(49,50)23-15-16-23/h7-14,22-23,28-29,31-32,41H,15-21H2,1-6H3,(H,42,46)(H,44,48)/t22-,28+,29+,31-,38+/m1/s1