3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(tetracosanoylamino)propanoic acid

Systemtic Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(tetracosanoylamino)propanoic acid Openeye Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(tetracosanoylamino)propanoic acid CAS Name: 3-[2,3-bis(1-oxooctoxy)propylthio]-2-(1-oxotetracosylamino)propanoic acid IUPAC Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(tetracosanoylamino)propanoic acid Traditional Name: 3-(2,3-dicaprylyloxypropylthio)-2-(tetracosanoylamino)propionic acid Formula: C46H87NO7S MolecularWeight: 798.25048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC)C(=O)O

InChI

InChI=1S/C46H87NO7S/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-32-35-43(48)47-42(46(51)52)40-55-39-41(54-45(50)37-34-30-12-9-6-3)38-53-44(49)36-33-29-11-8-5-2/h41-42H,4-40H2,1-3H3,(H,47,48)(H,51,52)