[2-(hexadecanoyloxymethyl)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propyl] hexadecanoate

Systemtic Name: [2-(hexadecanoyloxymethyl)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propyl] hexadecanoate Openeye Name: [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-(hexadecanoyloxymethyl)-3-hydroxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-(hydroxymethyl)-3-(1-oxohexadecoxy)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl] ester IUPAC Name: [2-(hexadecanoyloxymethyl)-3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propyl] hexadecanoate Traditional Name: palmitic acid [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-(hexadecanoyloxymethyl)-3-hydroxy-propyl] ester Formula: C46H80N2O8 MolecularWeight: 789.136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C46H80N2O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-43(51)55-39-46(38-49,48-42(50)36-47-45(53)54-37-41-32-28-27-29-33-41)40-56-44(52)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,49H,3-26,30-31,34-40H2,1-2H3,(H,47,53)(H,48,50)