[7,8-bis(azanyl)-3-hexadecanoyloxy-1-oxidanyl-4,8-bis(oxidanylidene)-3-phenylmethoxycarbonyl-octan-2-yl] hexadecanoate

Systemtic Name: [7,8-bis(azanyl)-3-hexadecanoyloxy-1-oxidanyl-4,8-bis(oxidanylidene)-3-phenylmethoxycarbonyl-octan-2-yl] hexadecanoate Openeye Name: [6,7-diamino-2-benzyloxycarbonyl-2-hexadecanoyloxy-1-(hydroxymethyl)-3,7-dioxo-heptyl] hexadecanoate CAS Name: hexadecanoic acid [7,8-diamino-1-hydroxy-4,8-dioxo-3-(1-oxohexadecoxy)-3-phenylmethoxycarbonyloctan-2-yl] ester IUPAC Name: (7,8-diamino-3-hexadecanoyloxy-1-hydroxy-4,8-dioxo-3-phenylmethoxycarbonyloctan-2-yl) hexadecanoate Traditional Name: palmitic acid (6,7-diamino-2-carbobenzoxy-2-hexadecanoyloxy-3,7-diketo-1-methylol-heptyl) ester Formula: C48H82N2O9 MolecularWeight: 831.17268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CO)C(C(=O)CCC(C(=O)N)N)(C(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO)C(C(=O)CCC(C(=O)N)N)(C(=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(53)58-43(38-51)48(42(52)37-36-41(49)46(50)55,47(56)57-39-40-32-28-27-29-33-40)59-45(54)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,41,43,51H,3-26,30-31,34-39,49H2,1-2H3,(H2,50,55)