tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1S,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1S,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(2S,4R)-2-[[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S,4R)-2-[[[(1S,2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-(difluoromethyl)cyclopropyl]amino]-oxomethyl]-4-(9-fluorenylideneamino)oxy-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S,4R)-2-[[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C37H45F2N5O8S MolecularWeight: 757.843706

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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)OC(C)(C)C

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)OC(C)(C)C

InChI

InChI=1S/C37H45F2N5O8S/c1-35(2,3)29(40-34(48)51-36(4,5)6)32(46)44-19-20(52-42-28-24-13-9-7-11-22(24)23-12-8-10-14-25(23)28)17-27(44)31(45)41-37(18-26(37)30(38)39)33(47)43-53(49,50)21-15-16-21/h7-14,20-21,26-27,29-30H,15-19H2,1-6H3,(H,40,48)(H,41,45)(H,43,47)/t20-,26+,27+,29-,37+/m1/s1