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Chemical structure of PF-07321332

GC62631

PF-07321332

Also known as (1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

PF-07321332 (Nirmatrelvir) is an orally administered severe acute respiratory syndrome coronavirus 2 main protease (Mpro) inhibitor with potent pan-human-coronavirus activity in vitro

ChemicalCAS2628280-40-8MW499.53FormulaC23H32F3N5O4
CAS number
2628280-40-8
Molecular weight
499.53
Formula
C23H32F3N5O4
Solubility
DMSO ： 140 mg/mL (280·26 mM; Need ultrasonic)
InChIKey
LIENCHBZNNMNKG-OJFNHCPVSA-N
Catalogue number
GC62631
Brand
GLPBIO
Computed properties PubChem CID 155903259 · XLogP 2.2 · TPSA 131 Ų · H-bond donors 3
XLogP
2.2
TPSA
131 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
35

SMILES CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C

Computed descriptors from PubChem (CID 155903259), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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