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

Systemtic Name: 5-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]-5-oxo-pentanoic acid CAS Name: 5-[2-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]-5-oxopentanoic acid IUPAC Name: 5-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-5-oxopentanoic acid Traditional Name: 5-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]-5-keto-valeric acid Formula: C42H80NO11P MolecularWeight: 806.058461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H80NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-41(47)51-36-38(37-53-55(49,50)52-35-34-43-39(44)30-29-31-40(45)46)54-42(48)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-37H2,1-2H3,(H,43,44)(H,45,46)(H,49,50)