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

Systemtic Name: 4-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]-4-keto-butyric acid Formula: C41H78NO11P MolecularWeight: 792.031881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H78NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(46)50-35-37(36-52-54(48,49)51-34-33-42-38(43)31-32-39(44)45)53-41(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,42,43)(H,44,45)(H,48,49)