3-[2,3-di(octadecanoyloxy)propylsulfanyl]-2-(octadecanoylamino)propanoic acid

Systemtic Name: 3-[2,3-di(octadecanoyloxy)propylsulfanyl]-2-(octadecanoylamino)propanoic acid Openeye Name: 3-[2,3-di(octadecanoyloxy)propylsulfanyl]-2-(octadecanoylamino)propanoic acid CAS Name: 3-[2,3-bis(1-oxooctadecoxy)propylthio]-2-(1-oxooctadecylamino)propanoic acid IUPAC Name: 3-[2,3-di(octadecanoyloxy)propylsulfanyl]-2-(octadecanoylamino)propanoic acid Traditional Name: 3-(2,3-distearoyloxypropylthio)-2-stearamido-propionic acid Formula: C60H115NO7S MolecularWeight: 994.6226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C60H115NO7S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(62)61-56(60(65)66)54-69-53-55(68-59(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)52-67-58(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h55-56H,4-54H2,1-3H3,(H,61,62)(H,65,66)