[3-[5-azanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[5-azanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[5-amino-4-(benzyloxycarbonylamino)-5-oxo-pentanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[5-amino-1,5-dioxo-4-(phenylmethoxycarbonylamino)pentoxy]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[5-amino-4-(benzyloxycarbonylamino)-5-keto-pentanoyl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C48H82N2O9 MolecularWeight: 831.17268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(C(=O)N)NC(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(C(=O)N)NC(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C48H82N2O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-44(51)56-39-42(59-46(53)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)40-57-45(52)37-36-43(47(49)54)50-48(55)58-38-41-32-28-27-29-33-41/h27-29,32-33,42-43H,3-26,30-31,34-40H2,1-2H3,(H2,49,54)(H,50,55)