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Chemical structure of Ac-(6-O-stearoyl)-muramyl-Ala-D-Glu-NH₂

GA20462

Ac-(6-O-stearoyl)-muramyl-Ala-D-Glu-NH₂

Also known as (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(octadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid

The lipidated L18 MDP showed a higher activity than unmodified MDP· L18 MDP acts as a NOD2 receptor agonist

ChemicalCAS60398-08-5MW758.95FormulaC37H66N4O12
CAS number
60398-08-5
Molecular weight
758.95
Formula
C37H66N4O12
Solubility
Soluble in DMSO
InChIKey
YGIZBPAKZVZJTK-DPBOHRDYSA-N
Catalogue number
GA20462
Brand
GLPBIO
Computed properties PubChem CID 124703 · XLogP 4.7 · TPSA 253 Ų · H-bond donors 7
XLogP
4.7
TPSA
253 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
30
Heavy atoms
53

SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O)O

Computed descriptors from PubChem (CID 124703), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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