sodium 2-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propoxy]-oxidanidyl-phosphoryl]oxyethylcarbamoylamino]ethyl [3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propyl] phosphate

Systemtic Name: sodium 2-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propoxy]-oxidanidyl-phosphoryl]oxyethylcarbamoylamino]ethyl [3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propyl] phosphate Openeye Name: sodium 2-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxotetradecanoylamino)propoxy]-oxido-phosphoryl]oxyethylcarbamoylamino]ethyl [3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxotetradecanoylamino)propyl] phosphate CAS Name: sodium 2-[[[2-[[2-(1,3-dioxotetradecylamino)-3-[3-[(E)-1-oxododec-5-enoxy]decoxy]propoxy]-oxidophosphoryl]oxyethylamino]-oxomethyl]amino]ethyl [2-(1,3-dioxotetradecylamino)-3-[3-[(E)-1-oxododec-5-enoxy]decoxy]propyl] phosphate IUPAC Name: sodium 2-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxotetradecanoylamino)propoxy]-oxidophosphoryl]oxyethylcarbamoylamino]ethyl [3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxotetradecanoylamino)propyl] phosphate Traditional Name: sodium 2-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-ketotetradecanoylamino)propoxy]-oxido-phosphoryl]oxyethylcarbamoylamino]ethyl [3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-ketotetradecanoylamino)propyl] phosphate Formula: C83H154N4NaO19P2- MolecularWeight: 1597.063552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)CC(=O)NC(COCCC(CCCCCCC)OC(=O)CCCC=CCCCCCC)COP(=O)([O-])OCCNC(=O)NCCOP(=O)([O-])OCC(COCCC(CCCCCCC)OC(=O)CCCC=CCCCCCC)NC(=O)CC(=O)CCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)CC(=O)NC(COP(=O)(OCCNC(=O)NCCOP(=O)(OCC(NC(=O)CC(=O)CCCCCCCCCCC)COCCC(OC(=O)CCC/C=C/CCCCCC)CCCCCCC)[O-])[O-])COCCC(OC(=O)CCC/C=C/CCCCCC)CCCCCCC.[Na+]

InChI

InChI=1S/C83H156N4O19P2.Na/c1-7-13-19-25-29-33-37-43-47-53-75(88)67-79(90)86-73(69-99-63-59-77(55-49-41-23-17-11-5)105-81(92)57-51-45-39-35-31-27-21-15-9-3)71-103-107(95,96)101-65-61-84-83(94)85-62-66-102-108(97,98)104-72-74(87-80(91)68-76(89)54-48-44-38-34-30-26-20-14-8-2)70-100-64-60-78(56-50-42-24-18-12-6)106-82(93)58-52-46-40-36-32-28-22-16-10-4;/h35-36,39-40,73-74,77-78H,7-34,37-38,41-72H2,1-6H3,(H,86,90)(H,87,91)(H,95,96)(H,97,98)(H2,84,85,94);/q;+1/p-2/b39-35+,40-36+;