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

Systemtic Name: [3-[2-(hexadecanoylamino)-3-oxidanylidene-3-[(1-oxidanyl-3-oxidanylidene-propan-2-yl)amino]propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[3-[(1-formyl-2-hydroxy-ethyl)amino]-2-(hexadecanoylamino)-3-oxo-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[[3-[(1-hydroxy-3-oxopropan-2-yl)amino]-3-oxo-2-(1-oxohexadecylamino)propyl]thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[2-(hexadecanoylamino)-3-[(1-hydroxy-3-oxopropan-2-yl)amino]-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[[3-[(1-formyl-2-hydroxy-ethyl)amino]-3-keto-2-palmitamido-propyl]thio]-2-hexadecanoyloxy-propyl] ester Formula: C57H108N2O8S MolecularWeight: 981.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CO)C=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CO)C=O

InChI

InChI=1S/C57H108N2O8S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-54(62)59-53(57(65)58-51(46-60)47-61)50-68-49-52(67-56(64)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-66-55(63)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46,51-53,61H,4-45,47-50H2,1-3H3,(H,58,65)(H,59,62)