CAS Number
Molecular Formula
C23H32F3N5O5
Product format
Neat
Molecular Weight
515.53
API Family
Synonyms
Nirmatrelvir metabolite M4; 5C2EJ8H89M; UNII-5C2EJ8H89M; PF-07329268; 2755812-07-6; 3-Azabicyclo(3.1.0)hexane-2-carboxamide, N-((1S)-1-cyano-2-((3R)-5-hydroxy-2-oxo-3-pyrrolidinyl)ethyl)-3-((2S)-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-[(3R)-5-hydroxy-2-oxo-3-pyrrolidinyl]ethyl]-3-[(2S)-3, 3-dimethyl-1-oxo-2-[(2, 2, 2-trifluoroacetyl)amino]butyl]-6, 6-dimethyl-, (1R, 2S, 5S)-; CHEMBL6021073; SCHEMBL24109054; BDBM510129; WO2021250648, Example 81; (1R, 2S, 5S)-N-{(1S)-1-Cyano-2-[(3R)-5-hydroxy-2-oxopyrrolidin-3-yl]ethyl}-6 and 6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (81)
Iupac Name
(1R, 2S, 5S)-N-[(1S)-1-cyano-2-[(3R)-5-hydroxy-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-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(2,3)16(30-20(36)23(24,25)26)19(35)31-9-12-14(22(12,4)5)15(31)18(34)28-11(8-27)6-10-7-13(32)29-17(10)33/h10-16,32H,6-7,9H2,1-5H3,(H,28,34)(H,29,33)(H,30,36)/t10-,11+,12+,13?,14+,15+,16-/m1/s1
