[(2R)-3-[(2S)-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[(2S)-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[(2S)-3-amino-2-(hexadecanoylamino)-3-oxo-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[[(2S)-3-amino-3-oxo-2-(1-oxohexadecylamino)propyl]thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[(2S)-3-amino-2-(hexadecanoylamino)-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[[(2S)-3-amino-3-keto-2-palmitamido-propyl]thio]-2-hexadecanoyloxy-propyl] ester Formula: C54H104N2O6S MolecularWeight: 909.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N

InChI

InChI=1S/C54H104N2O6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(57)56-50(54(55)60)48-63-47-49(62-53(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)46-61-52(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-50H,4-48H2,1-3H3,(H2,55,60)(H,56,57)/t49-,50-/m1/s1