1-[3-[2-[[8-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethylamino]-8-oxidanylidene-octanoyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-(3-oxidanylidenetetradecanoylamino)propoxy]decan-3-yl (E)-dodec-5-enoate

Systemtic Name: 1-[3-[2-[[8-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxidanylidenetetradecanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethylamino]-8-oxidanylidene-octanoyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-(3-oxidanylidenetetradecanoylamino)propoxy]decan-3-yl (E)-dodec-5-enoate Openeye Name: 1-[2-[3-[2-[[8-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxotetradecanoylamino)propoxy]-hydroxy-phosphoryl]oxyethylamino]-8-oxo-octanoyl]amino]ethoxy-hydroxy-phosphoryl]oxy-2-(3-oxotetradecanoylamino)propoxy]ethyl]octyl (E)-dodec-5-enoate CAS Name: (E)-5-dodecenoic acid 1-[2-(1,3-dioxotetradecylamino)-3-[2-[[8-[2-[[2-(1,3-dioxotetradecylamino)-3-[3-[(E)-1-oxododec-5-enoxy]decoxy]propoxy]-hydroxyphosphoryl]oxyethylamino]-1,8-dioxooctyl]amino]ethoxy-hydroxyphosphoryl]oxypropoxy]decan-3-yl ester IUPAC Name: 1-[3-[2-[[8-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-oxotetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-8-oxooctanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(3-oxotetradecanoylamino)propoxy]decan-3-yl (E)-dodec-5-enoate Traditional Name: (E)-dodec-5-enoic acid 1-[2-[3-[2-[[8-[2-[[3-[3-[(E)-dodec-5-enoyl]oxydecoxy]-2-(3-ketotetradecanoylamino)propoxy]-hydroxy-phosphoryl]oxyethylamino]-8-keto-octanoyl]amino]ethoxy-hydroxy-phosphoryl]oxy-2-(3-ketotetradecanoylamino)propoxy]ethyl]octyl ester Formula: C90H168N4O20P2 MolecularWeight: 1688.259242

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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)CCCCCCC(=O)NCCOP(=O)(O)OCC(COCCC(CCCCCCC)OC(=O)CCCC=CCCCCCC)NC(=O)CC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)CC(=O)NC(COP(=O)(OCCNC(=O)CCCCCCC(=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

InChI

InChI=1S/C90H168N4O20P2/c1-7-13-19-25-29-33-37-43-49-57-81(95)73-87(99)93-79(75-107-69-65-83(59-51-41-23-17-11-5)113-89(101)63-55-45-39-35-31-27-21-15-9-3)77-111-115(103,104)109-71-67-91-85(97)61-53-47-48-54-62-86(98)92-68-72-110-116(105,106)112-78-80(94-88(100)74-82(96)58-50-44-38-34-30-26-20-14-8-2)76-108-70-66-84(60-52-42-24-18-12-6)114-90(102)64-56-46-40-36-32-28-22-16-10-4/h35-36,39-40,79-80,83-84H,7-34,37-38,41-78H2,1-6H3,(H,91,97)(H,92,98)(H,93,99)(H,94,100)(H,103,104)(H,105,106)/b39-35+,40-36+