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Chemical structure of Glecaprevir

GC19165

Glecaprevir

Also known as (1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide

Glecaprevir is a novel HCV NS3/4A protease inhibitor, with IC50 values ranging from 3·5 to 11·3 nM

ChemicalCAS1365970-03-1MW838.87FormulaC38H46F4N6O9S
CAS number
1365970-03-1
Molecular weight
838.87
Formula
C38H46F4N6O9S
Solubility
DMSO ： ≥ 83·3 mg/mL (99·30 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
MLSQGNCUYAMAHD-ITNVBOSISA-N
Catalogue number
GC19165
Brand
GLPBIO
Computed properties PubChem CID 66828839 · XLogP 4.6 · TPSA 204 Ų · H-bond donors 3
XLogP
4.6
TPSA
204 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
7
Heavy atoms
58

SMILES CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C

Computed descriptors from PubChem (CID 66828839), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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