Mifamurtide anhydrous
sodium;2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate;hydrate
Molecular Identity
Mifamurtide anhydrous
sodium;2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate;hydrate
PubChem CID: 123133557
2D Structure
Properties
C59H110N6NaO20P
Molecular Formula
1277.50
Molecular Weight
g/mol
1276.7410
Exact Mass
Da
388
TPSA
May have limited oral absorption
10
H-Bond Donors
20
H-Bond Acceptors
1950
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)C(C)NC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(CO)O)O)OC(=O)CCCCCCCCCCCCCCC.O.[Na+]Isomeric SMILES
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O)OC(=O)CCCCCCCCCCCCCCC.O.[Na+]Synonyms(20)
Mifamurtide sodium hydrate838853-48-8Sodium mifamurtide1LM890Q4FYJunovanmuramylNAc-Ala-isoGln-Lys-tripeptide-PEmifamurtide anhydrousmifamurtide sodium saltCgp-19835ASODIUM (R)-2,3-BIS(PALMITOYLOXY)PROPYL ((4R,5R,7R,10S,13R,18S)-13-CARBAMOYL-4-FORMYL-7,10,18-TRIMETHYL-2,8,11,16,19-PENTAOXO-5-((1R,2R)-1,2,3-TRIHYDROXYPROPYL)-6-OXA-3,9,12,17,20-PENTAAZADOCOSAN-22-YL) PHOSPHATE HYDRATEDTXSID601028849Muramyl tripeptide phosphatidylethanolaminemifamurtidumsodium;2-(((2S)-2-(((4R)-4-(((2S)-2-(((2R)-2-((2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoyl)amino)propanoyl)amino)-5-amino-5-oxopentanoyl)amino)propanoyl)amino)ethyl ((2R)-2,3-di(hexadecanoyloxy)propyl) phosphate;hydratesodium;2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate;hydrate
Data from PubChem (NCBI)
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