[(2S)-3-[(2R)-2-azanyl-3-sulfanyl-propanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2S)-3-[(2R)-2-azanyl-3-sulfanyl-propanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2S)-3-[(2R)-2-amino-3-sulfanyl-propanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-3-[(2R)-2-amino-3-mercapto-1-oxopropoxy]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2S)-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2S)-3-[(2R)-2-amino-3-mercapto-propanoyl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C38H73NO6S MolecularWeight: 672.05432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(CS)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C38H73NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)43-31-34(32-44-38(42)35(39)33-46)45-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,46H,3-33,39H2,1-2H3/t34-,35-/m0/s1