1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol
[3-[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Also Known As: Mdp-gdp|Muramyl dipeptide-glyceryldipalmitate|[3-[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate|D-alpha-Glutamine, N2-(N-(N-acetylmuramoyl)-L-alanyl)-, (+)-|1-(N-Acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol
| Molecular Formula | C54H98N4O15 |
|---|---|
| Molecular Weight | 1042.7029 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 48 |
| Exact Mass | 1042.7029 |
| Monoisotopic Mass | 1042.7029 |
| Heavy Atoms | 73 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 95238-29-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | QWBADGLTIJHEGX-IUNAUVRHSA-N |
Product Overview
1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol (CAS 95238-29-2), with molecular formula C54H98N4O15 and molecular weight 1042.7029 g/mol. IUPAC: [3-[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate.
1-(N-acetylmuramyl-alanyl-isoglutaminyl)-2,3-dipalmitoyl-sn-glycerol is a custom synthesis product. We offer services from milligram to kilogram scale.
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