4-[2-[2,3-di(octadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[2,3-di(octadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[2,3-bis(1-oxooctadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[2,3-distearoyloxypropoxy(hydroxy)phosphoryl]oxyethylamino]-4-keto-butyric acid Formula: C45H86NO11P MolecularWeight: 848.138201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H86NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(50)54-39-41(40-56-58(52,53)55-38-37-46-42(47)35-36-43(48)49)57-45(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-40H2,1-2H3,(H,46,47)(H,48,49)(H,52,53)