5-[2-[2,3-di(octadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-[2,3-di(octadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]-5-oxo-pentanoic acid CAS Name: 5-[2-[2,3-bis(1-oxooctadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]-5-oxopentanoic acid IUPAC Name: 5-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-5-oxopentanoic acid Traditional Name: 5-[2-[2,3-distearoyloxypropoxy(hydroxy)phosphoryl]oxyethylamino]-5-keto-valeric acid Formula: C46H88NO11P MolecularWeight: 862.164781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCC(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCC(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H88NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-45(51)55-40-42(41-57-59(53,54)56-39-38-47-43(48)34-33-35-44(49)50)58-46(52)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-41H2,1-2H3,(H,47,48)(H,49,50)(H,53,54)