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Chemical structure of Ac-Tyr-Val-Ala-Asp-2,6-dimethylbenzoyloxymethylketone

GA20672

Ac-Tyr-Val-Ala-Asp-2,6-dimethylbenzoyloxymethylketone

Also known as (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-(2,6-dimethylbenzoyl)oxy-4-oxopentanoic acid

Ac-YVAD-AOMK is a highly selective, competitive and irreversible inhibitor of caspase-1 (ICE)· Ac-YVAD-AOM inactivates the enzyme with a rate limited by diffusion and is relatively inert toward other bionucleophiles such as glutathione, making it an excellent candidate for in vivo studies of enzyme inhibitors

ChemicalCAS154674-81-4MW654.72FormulaC33H42N4O10
CAS number
154674-81-4
Molecular weight
654.72
Formula
C33H42N4O10
Solubility
Soluble in DMSO
InChIKey
LOACDHZQOPEFKK-NFJAKAEBSA-N
Catalogue number
GA20672
Brand
GLPBIO
Computed properties PubChem CID 9852588 · XLogP 2.6 · TPSA 217 Ų · H-bond donors 6
XLogP
2.6
TPSA
217 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
17
Heavy atoms
47

SMILES CC1=C(C(=CC=C1)C)C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C

Computed descriptors from PubChem (CID 9852588), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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