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Chemical structure of Ent-(+)-Verticilide

GC76382

Ent-(+)-Verticilide

Also known as (3R,6S,9R,12S,15R,18S,21R,24S)-3,4,9,10,15,16,21,22-octamethyl-6,12,18,24-tetrapentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

ent-(+)-verticilide is a potent and selective inhibitor of cardiac ryanodine receptor (RyR2) calcium release channels with antiarrhythmic activity· ent-(+)-verticilide inhibits RyR2-mediated diastolic Ca2+?leak and exhibits higher potency and a distinct mechanism of action compared with theDantrolene and Tetracaine

ChemicalCAS2056011-05-1MW853.09FormulaC44H76N4O12
CAS number
2056011-05-1
Molecular weight
853.09
Formula
C44H76N4O12
InChIKey
CMEGQABRBDDBTQ-WRRUDTOOSA-N
Catalogue number
GC76382
Brand
GLPBIO
Computed properties PubChem CID 157622000 · XLogP 8.9 · TPSA 186 Ų · H-bond donors 0
XLogP
8.9
TPSA
186 Ų
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
16
Heavy atoms
60

SMILES CCCCC[C@H]1C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O1)C)C)CCCCC)C)C)CCCCC)C)C)CCCCC)C)C

Computed descriptors from PubChem (CID 157622000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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