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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H33N5O3
Molecular Weight 403.5184
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nirmatrelvir metabolite M8

SMILES

[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](N)C(C)(C)C

InChI

InChIKey=UGRNCGFEVATDJG-OJFNHCPVSA-N
InChI=1S/C21H33N5O3/c1-20(2,3)16(23)19(29)26-10-13-14(21(13,4)5)15(26)18(28)25-12(9-22)8-11-6-7-24-17(11)27/h11-16H,6-8,10,23H2,1-5H3,(H,24,27)(H,25,28)/t11-,12-,13-,14-,15-,16+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Nirmatrelvir metabolite M8
Common Name English
3-Azabicyclo[3.1.0]hexane-2-carboxamide, 3-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]-6,6-dimethyl-, (1R,2S,5S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
167481489
Created by admin on Sat Dec 16 20:07:15 GMT 2023 , Edited by admin on Sat Dec 16 20:07:15 GMT 2023
PRIMARY
CAS
2883654-28-0
Created by admin on Sat Dec 16 20:07:15 GMT 2023 , Edited by admin on Sat Dec 16 20:07:15 GMT 2023
PRIMARY
FDA UNII
PF7Z2TG76Y
Created by admin on Sat Dec 16 20:07:15 GMT 2023 , Edited by admin on Sat Dec 16 20:07:15 GMT 2023
PRIMARY