[3-[hexadecanoyl-(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[hexadecanoyl-(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[hexadecanoyl-[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[(3-mercapto-1-methoxy-1-oxopropan-2-yl)-(1-oxohexadecyl)amino]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[hexadecanoyl-(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)amino]-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[hexadecanoyl-[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]amino]-2-hexadecanoyloxy-propyl] ester Formula: C55H105NO7S MolecularWeight: 924.4897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(CC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(CS)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(CC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(CS)C(=O)OC

InChI

InChI=1S/C55H105NO7S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-52(57)56(51(49-64)55(60)61-4)47-50(63-54(59)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)48-62-53(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h50-51,64H,5-49H2,1-4H3