[(2S)-3-[2-[[(2R)-2-azanyl-3-oxidanyl-propanoyl]amino]ethylsulfanyl]-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2S)-3-[2-[[(2R)-2-azanyl-3-oxidanyl-propanoyl]amino]ethylsulfanyl]-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2S)-3-[2-[[(2R)-2-amino-3-hydroxy-propanoyl]amino]ethylsulfanyl]-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-3-[2-[[(2R)-2-amino-3-hydroxy-1-oxopropyl]amino]ethylthio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2S)-3-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]ethylsulfanyl]-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2S)-3-[2-[[(2R)-2-amino-3-hydroxy-propanoyl]amino]ethylthio]-2-hexadecanoyloxy-propyl] ester Formula: C40H78N2O6S MolecularWeight: 715.12212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCCNC(=O)C(CO)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C40H78N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(44)47-34-36(35-49-32-31-42-40(46)37(41)33-43)48-39(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,43H,3-35,41H2,1-2H3,(H,42,46)/t36-,37+/m0/s1