CAS Number
Molecular Formula
C23H32F3N5O5
Product format
Neat
Molecular Weight
515.53
API Family
Synonyms
Nirmatrelvir metabolite M1; 2EX2D5SG5A; UNII-2EX2D5SG5A; PF-07329265; 2755812-08-7; 3-Azabicyclo(3.1.0)hexane-2-carboxamide, N-((1S)-1-cyano-2-((3S)-2-oxo-3-pyrrolidinyl)ethyl)-3-((2S)-3, 3-dimethyl-1-oxo-2-((2, 2, 2-trifluoroacetyl)amino)butyl)-6-(hydroxymethyl)-6-methyl-, (1R, 2S, 5S, 6R)-; 3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-cyano-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-3-[(2S)-3, 3-dimethyl-1-oxo-2-[(2, 2, 2-trifluoroacetyl)amino]butyl]-6-(hydroxymethyl)-6-methyl-, (1R, 2S, 5S, 6R)-; CHEMBL5783833; SCHEMBL24425254; BDBM510131; WO2021250648, Example 83; (1R, 2S, 5S and 6S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6-(hydroxymethyl)-6-methyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (83)
Iupac Name
(1R, 2S, 5S, 6R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3, 3-dimethyl-2-[(2, 2 and 2-trifluoroacetyl)amino]butanoyl]-6-(hydroxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
InChI
InChI=1S/C23H32F3N5O5/c1-21(2,3)16(30-20(36)23(24,25)26)19(35)31-9-13-14(22(13,4)10-32)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+,22+/m0/s1
