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Chemical structure of OM99-2

GA23320

OM99-2

Also known as (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(4S,5S,7R)-8-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

OM99-2, EVNL-psi[CHOH-CH?]-AAEF-NH?, is a potent inhibitor for human brain memapsin-2 (β-secretase) containing a Leu-Ala hydroxyethylene isostere with a Ki-value of 9·58 · 10?? M

ChemicalCAS314266-76-7MW893.01FormulaC41H64N8O14
CAS number
314266-76-7
Molecular weight
893.01
Formula
C41H64N8O14
Solubility
Soluble in DMSO
InChIKey
NIOCOJFPGCXNKL-ZKZXETMPSA-N
Catalogue number
GA23320
Brand
GLPBIO
Computed properties PubChem CID 445649 · XLogP -2.9 · TPSA 376 Ų · H-bond donors 12
XLogP
-2.9
TPSA
376 Ų
H-bond donors
12
H-bond acceptors
15
Rotatable bonds
29
Heavy atoms
63

SMILES C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

Computed descriptors from PubChem (CID 445649), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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