(3S,3aS,6aR)-2-[(2R)-2-[[(2R)-2-cyclohexyl-2-(1H-imidazol-5-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-bis(oxidanylidene)hexan-3-yl]-6,6-bis(fluoranyl)-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide

Systemtic Name: (3S,3aS,6aR)-2-[(2R)-2-[[(2R)-2-cyclohexyl-2-(1H-imidazol-5-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-bis(oxidanylidene)hexan-3-yl]-6,6-bis(fluoranyl)-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide Openeye Name: (3S,3aS,6aR)-2-[(2R)-2-[[(2R)-2-cyclohexyl-2-(1H-imidazole-5-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]-6,6-difluoro-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide CAS Name: (3S,3aS,6aR)-2-[(2R)-2-[[(2R)-2-cyclohexyl-2-[[1H-imidazol-5-yl(oxo)methyl]amino]-1-oxoethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-6,6-difluoro-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide IUPAC Name: (3S,3aS,6aR)-2-[(2R)-2-[[(2R)-2-cyclohexyl-2-(1H-imidazole-5-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-6,6-difluoro-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide Traditional Name: (3S,3aS,6aR)-2-[(2R)-2-[[(2R)-2-cyclohexyl-2-(1H-imidazole-5-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(cyclopropylamino)-2-keto-acetyl]butyl]-6,6-difluoro-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide Formula: C35H51F2N7O6 MolecularWeight: 703.819546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCC(C3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=CN=CN5)(F)F

Isomeric SMILES

CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC([C@H]3CN2C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H](C4CCCCC4)NC(=O)C5=CN=CN5)(F)F

InChI

InChI=1S/C35H51F2N7O6/c1-5-9-23(27(45)32(49)40-20-12-13-20)41-31(48)26-21-14-15-35(36,37)22(21)17-44(26)33(50)28(34(2,3)4)43-30(47)25(19-10-7-6-8-11-19)42-29(46)24-16-38-18-39-24/h16,18-23,25-26,28H,5-15,17H2,1-4H3,(H,38,39)(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t21-,22-,23-,25+,26-,28-/m0/s1