[1-[(2R)-2-(hexadecanoylamino)-3-sulfanyl-propanoyl]oxy-1-hexadecanoyloxy-3-oxidanyl-propan-2-yl] hexadecanoate

Systemtic Name: [1-[(2R)-2-(hexadecanoylamino)-3-sulfanyl-propanoyl]oxy-1-hexadecanoyloxy-3-oxidanyl-propan-2-yl] hexadecanoate Openeye Name: [2-[(2R)-2-(hexadecanoylamino)-3-sulfanyl-propanoyl]oxy-2-hexadecanoyloxy-1-(hydroxymethyl)ethyl] hexadecanoate CAS Name: hexadecanoic acid [3-hydroxy-1-[(2R)-3-mercapto-1-oxo-2-(1-oxohexadecylamino)propoxy]-1-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [1-[(2R)-2-(hexadecanoylamino)-3-sulfanylpropanoyl]oxy-1-hexadecanoyloxy-3-hydroxypropan-2-yl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-2-[(2R)-3-mercapto-2-palmitamido-propanoyl]oxy-1-methylol-ethyl] ester Formula: C54H103NO8S MolecularWeight: 926.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CS)C(=O)OC(C(CO)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CS)C(=O)OC(C(CO)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H103NO8S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50(57)55-48(47-64)53(60)63-54(62-52(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)49(46-56)61-51(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48-49,54,56,64H,4-47H2,1-3H3,(H,55,57)/t48-,49?,54?/m0/s1