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

Systemtic Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(icosanoylamino)propanoic acid Openeye Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(icosanoylamino)propanoic acid CAS Name: 3-[2,3-bis(1-oxooctoxy)propylthio]-2-(1-oxoeicosylamino)propanoic acid IUPAC Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(icosanoylamino)propanoic acid Traditional Name: 3-(2,3-dicaprylyloxypropylthio)-2-(eicosanoylamino)propionic acid Formula: C42H79NO7S MolecularWeight: 742.14416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H79NO7S/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-27-28-31-39(44)43-38(42(47)48)36-51-35-37(50-41(46)33-30-26-12-9-6-3)34-49-40(45)32-29-25-11-8-5-2/h37-38H,4-36H2,1-3H3,(H,43,44)(H,47,48)