CAS Number
Molecular Formula
C23H32F3N5O5
Product format
Neat
Molecular Weight
515.53
API Family
Synonyms
47UST7D7YF; PF-07329267; 2755812-10-1; RefChem:1094638; Nirmatrelvir metabolite M3; UNII-47UST7D7YF; 3-Azabicyclo(3.1.0)hexane-2-carboxamide, N-((1S)-1-cyano-2-((3S)-2-oxo-3-pyrrolidinyl)ethyl)-3-((2S)-4-hydroxy-3, 3-dimethyl-1-oxo-2-((2, 2, 2-trifluoroacetyl)amino)butyl)-6, 6-dimethyl-, (1R, 2S, 5S)-; 3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-cyano-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-3-[(2S)-4-hydroxy-3, 3-dimethyl-1-oxo-2-[(2, 2, 2-trifluoroacetyl)amino]butyl]-6, 6-dimethyl-, (1R, 2S, 5S)-; CHEMBL5898819; SCHEMBL24425256; BDBM510132; WO2021250648, Example 84; (1R, 2S, 5S)-N-{(1 S)-1-Cyano-2-[(3S)-2- oxopyrrolidin-3-yl]ethyl}-3-[3-(hydroxymethyl)-N-(trifluoroacetyl)-L-valyl]-6 and 6-dimethyl-3- azabicyclo[3.1.0]hexane-2-carboxamide (84)
Iupac Name
(1R, 2S, 5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-4-hydroxy-3, 3-dimethyl-2-[(2, 2, 2-trifluoroacetyl)amino]butanoyl]-6 and 6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
InChI
InChI=1S/C23H32F3N5O5/c1-21(2,10-32)16(30-20(36)23(24,25)26)19(35)31-9-13-14(22(13,3)4)15(31)18(34)29-12(8-27)7-11-5-6-28-17(11)33/h11-16,32H,5-7,9-10H2,1-4H3,(H,28,33)(H,29,34)(H,30,36)/t11-,12-,13-,14-,15-,16+/m0/s1
