(2S,4R)-N-[(1S,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-1-[(2S)-2-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(2S)-2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-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-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-3,3-dimethyl-butanoyl]-N-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-2-carboxamide Formula: C38H46F2N6O7S MolecularWeight: 768.869646

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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)NC(=O)NC7CCCC7

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)NC(=O)NC7CCCC7

InChI

InChI=1S/C38H46F2N6O7S/c1-37(2,3)31(42-36(50)41-21-10-4-5-11-21)34(48)46-20-22(53-44-30-26-14-8-6-12-24(26)25-13-7-9-15-27(25)30)18-29(46)33(47)43-38(19-28(38)32(39)40)35(49)45-54(51,52)23-16-17-23/h6-9,12-15,21-23,28-29,31-32H,4-5,10-11,16-20H2,1-3H3,(H,43,47)(H,45,49)(H2,41,42,50)/t22-,28+,29+,31-,38+/m1/s1