(1S,4S,5R)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(methylsulfonylamino)butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2S)-1-(2,2-diphenylethylamino)-4,4-bis(fluoranyl)-1-oxidanylidene-butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(methylsulfonylamino)butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2S)-1-(2,2-diphenylethylamino)-4,4-bis(fluoranyl)-1-oxidanylidene-butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-N-[(1S)-1-(2,2-diphenylethylcarbamoyl)-3,3-difluoro-propyl]-3-[(2S)-2-[[(1S)-1-(methanesulfonamidomethyl)-2,2-dimethyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-N-[(2S)-1-(2,2-diphenylethylamino)-4,4-difluoro-1-oxobutan-2-yl]-3-[(2S)-2-[[[[(2S)-1-(methanesulfonamido)-3,3-dimethylbutan-2-yl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-N-[(2S)-1-(2,2-diphenylethylamino)-4,4-difluoro-1-oxobutan-2-yl]-3-[(2S)-2-[[(2S)-1-(methanesulfonamido)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-N-[(1S)-1-(2,2-diphenylethylcarbamoyl)-3,3-difluoro-propyl]-3-[(2S)-2-[[(1S)-1-(methanesulfonamidomethyl)-2,2-dimethyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C40H58F2N6O6S MolecularWeight: 788.986926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(CNS(=O)(=O)C)C(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CNS(=O)(=O)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C40H58F2N6O6S/c1-38(2,3)29(22-44-55(9,53)54)46-37(52)47-33(39(4,5)6)36(51)48-23-27-31(40(27,7)8)32(48)35(50)45-28(20-30(41)42)34(49)43-21-26(24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,26-33,44H,20-23H2,1-9H3,(H,43,49)(H,45,50)(H2,46,47,52)/t27-,28-,29+,31-,32-,33+/m0/s1