An azabicyclohexane that is (1R,5S)-3-azabicyclo[3.1.0]hexane substituted by {(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}aminoacyl, 3-methyl-N-(trifluoroacetyl)-L-valinamide, methyl and methyl groups at positions 2S, 3, 6 and 6, respectively. It is the first orally administered inhibitor of SARS-CoV-2 main protease developed by Pfizer and used in combination with ritonavir for the treatment of COVID-19.
class Information
0
C23H32F3N5O4
- CAS:2628280-40-8
- DrugBank:DB16691
- KEGG:D12244
- PMCID:PMC9232762
- PMCID:PMC9264725
- PMID:34687004
- PMID:35073029
- PMID:35153195
- PMID:35182772
- PMID:35183067
- PMID:35203821
- PMID:35305258
- PMID:35335157
- PMID:35389231
- PMID:35425393
- PMID:35461811
- PMID:35477935
- PMID:35505633
- PMID:35640480
- PMID:35678736
- PMID:35702394
- PMID:35845944
- PMID:36276807
- PMID:36574296
- PMID:36965419
- PMID:37074087
- PMID:37402789
- PMID:37510996
- PMID:37947496
- PMID:38257765
- PMID:38399271
- PMID:38432955
- PMID:38553607
- Wikipedia:Nirmatrelvir
chebi_ontology
InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
LIENCHBZNNMNKG-OJFNHCPVSA-N
499.535
499.24064
[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C