[(3R)-1-[(2S)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethylcarbamoylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-(pentadecanoylamino)propoxy]decan-3-yl] tridecanoate; sodium

Systemtic Name: [(3R)-1-[(2S)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethylcarbamoylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-(pentadecanoylamino)propoxy]decan-3-yl] tridecanoate; sodium Openeye Name: [(1R)-1-[2-[(2S)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-hydroxy-phosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxy-phosphoryl]oxy-2-(pentadecanoylamino)propoxy]ethyl]octyl] tridecanoate; sodium CAS Name: sodium; tridecanoic acid [(3R)-1-[(2S)-3-[hydroxy-[2-[[[2-[hydroxy-[(2R)-3-[(3R)-3-(1-oxododecoxy)decoxy]-2-(1-oxotetradecylamino)propoxy]phosphoryl]oxyethylamino]-oxomethyl]amino]ethoxy]phosphoryl]oxy-2-(1-oxopentadecylamino)propoxy]decan-3-yl] ester IUPAC Name: [(3R)-1-[(2S)-3-[2-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(pentadecanoylamino)propoxy]decan-3-yl] tridecanoate; sodium Traditional Name: sodium; tridecanoic acid [(1R)-1-[2-[(2S)-3-[hydroxy-[2-[2-[hydroxy-[(2R)-3-[(3R)-3-lauroyloxydecoxy]-2-(tetradecanoylamino)propoxy]phosphoryl]oxyethylcarbamoylamino]ethoxy]phosphoryl]oxy-2-(pentadecanoylamino)propoxy]ethyl]octyl] ester Formula: C85H168N4Na2O17P2 MolecularWeight: 1626.187082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC(COCCC(CCCCCCC)OC(=O)CCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)NCCOP(=O)(O)OCC(COCCC(CCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC.[Na].[Na]

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)N[C@@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)NCCOP(=O)(O)OC[C@@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC.[Na].[Na]

InChI

InChI=1S/C85H168N4O17P2.2Na/c1-7-13-19-25-29-33-36-38-41-44-50-56-62-82(91)89-78(74-100-70-66-80(60-54-48-24-18-12-6)106-84(93)64-58-52-46-42-35-31-27-21-15-9-3)76-104-108(97,98)102-72-68-87-85(94)86-67-71-101-107(95,96)103-75-77(88-81(90)61-55-49-43-40-37-34-30-26-20-14-8-2)73-99-69-65-79(59-53-47-23-17-11-5)105-83(92)63-57-51-45-39-32-28-22-16-10-4;;/h77-80H,7-76H2,1-6H3,(H,88,90)(H,89,91)(H,95,96)(H,97,98)(H2,86,87,94);;/t77-,78+,79-,80-;;/m1../s1