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Chemical structure of PE 22-28

GC72194

PE 22-28

Also known as (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

PE 22-28 is a TREK-1 inhibitor with IC50 value of 0·12 nM

ChemicalCAS1801959-12-5MW773.88FormulaC35H55N11O9
CAS number
1801959-12-5
Molecular weight
773.88
Formula
C35H55N11O9
InChIKey
CMNBQRXBBJQIOA-YIHYGEMESA-N
Catalogue number
GC72194
Brand
GLPBIO
Computed properties PubChem CID 165437303 · XLogP -3.7 · TPSA 338 Ų · H-bond donors 12
XLogP
-3.7
TPSA
338 Ų
H-bond donors
12
H-bond acceptors
11
Rotatable bonds
23
Heavy atoms
55

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CN

Computed descriptors from PubChem (CID 165437303), 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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