2-(hexadecanoylamino)-2-hexadecanoyloxy-3-hexadecanoyloxysulfanyl-hexanoic acid

Systemtic Name: 2-(hexadecanoylamino)-2-hexadecanoyloxy-3-hexadecanoyloxysulfanyl-hexanoic acid Openeye Name: 2-(hexadecanoylamino)-2-hexadecanoyloxy-3-hexadecanoyloxysulfanyl-hexanoic acid CAS Name: 2-(1-oxohexadecoxy)-3-(1-oxohexadecoxythio)-2-(1-oxohexadecylamino)hexanoic acid IUPAC Name: 2-(hexadecanoylamino)-2-hexadecanoyloxy-3-hexadecanoyloxysulfanylhexanoic acid Traditional Name: 2-hexadecanoyloxy-3-(hexadecanoyloxythio)-2-palmitamido-hexanoic acid Formula: C54H103NO7S MolecularWeight: 910.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C(CCC)SOC(=O)CCCCCCCCCCCCCCC)(C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(C(CCC)SOC(=O)CCCCCCCCCCCCCCC)(C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H103NO7S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-46-50(56)55-54(53(59)60,61-51(57)47-43-40-37-34-31-28-25-22-19-16-13-10-6-2)49(45-8-4)63-62-52(58)48-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h49H,5-48H2,1-4H3,(H,55,56)(H,59,60)