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

Systemtic Name: (1S,4S,5R)-N-[(2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-4,4-bis(fluoranyl)-1-oxidanylidene-butan-2-yl]-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(methylsulfonylamino)butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-N-[(1S)-3,3-difluoro-1-(indan-2-ylcarbamoyl)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-(2,3-dihydro-1H-inden-2-ylamino)-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-(2,3-dihydro-1H-inden-2-ylamino)-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)-3,3-difluoro-1-(indan-2-ylcarbamoyl)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: C35H54F2N6O6S MolecularWeight: 724.901666

Click to see the large picture

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)NC3CC4=CC=CC=C4C3)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)NC3CC4=CC=CC=C4C3)C

InChI

InChI=1S/C35H54F2N6O6S/c1-33(2,3)24(17-38-50(9,48)49)41-32(47)42-28(34(4,5)6)31(46)43-18-22-26(35(22,7)8)27(43)30(45)40-23(16-25(36)37)29(44)39-21-14-19-12-10-11-13-20(19)15-21/h10-13,21-28,38H,14-18H2,1-9H3,(H,39,44)(H,40,45)(H2,41,42,47)/t22-,23-,24+,26-,27-,28+/m0/s1