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Chemical structure of Leritrelvir

GC71221

Leritrelvir

Also known as (3S,3aS,6aR)-2-[(2S)-2-cyclohexyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-N-[(2S)-4-(cyclopentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

Leritrelvir (RAY1216) is an orally active SARS-CoV-2 main protease slow-tight inhibitor with a Ki of 8·6 nM

ChemicalCAS2923310-64-7MW639.71FormulaC31H44F3N5O6
CAS number
2923310-64-7
Molecular weight
639.71
Formula
C31H44F3N5O6
InChIKey
ICGMMLTUQDVAST-HEZDJTGRSA-N
Catalogue number
GC71221
Brand
GLPBIO
Computed properties PubChem CID 167713195 · XLogP 3.6 · TPSA 154 Ų · H-bond donors 4
XLogP
3.6
TPSA
154 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
45

SMILES C1CCC(CC1)[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C(=O)C(=O)NC5CCCC5)NC(=O)C(F)(F)F

Computed descriptors from PubChem (CID 167713195), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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