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

Systemtic Name: tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1S,2R)-2-[bis(fluoranyl)methyl]-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[[(1S,2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-(difluoromethyl)cyclopropyl]amino]-oxomethyl]-4-(9-fluorenylideneamino)oxy-1-pyrrolidinyl]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]carbamoyl]-4-(fluoren-9-ylideneamino)oxy-pyrrolidino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C39H47F2N5O8S MolecularWeight: 783.880986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4CC4)ON=C5C6=CC=CC=C6C7=CC=CC=C75

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4CC4)ON=C5C6=CC=CC=C6C7=CC=CC=C75

InChI

InChI=1S/C39H47F2N5O8S/c1-38(2,3)53-37(50)42-31(22-11-5-4-6-12-22)35(48)46-21-23(54-44-32-27-15-9-7-13-25(27)26-14-8-10-16-28(26)32)19-30(46)34(47)43-39(20-29(39)33(40)41)36(49)45-55(51,52)24-17-18-24/h7-10,13-16,22-24,29-31,33H,4-6,11-12,17-21H2,1-3H3,(H,42,50)(H,43,47)(H,45,49)/t23-,29+,30+,31+,39+/m1/s1