sodium 3-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]propanoate

Systemtic Name: sodium 3-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]propanoate Openeye Name: sodium 3-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]propanoate CAS Name: sodium 3-[[11-[[11-(dodecylthio)-1-oxoundecyl]-ethylamino]-1-oxoundecyl]amino]propanoate IUPAC Name: sodium 3-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]propanoate Traditional Name: sodium 3-[11-[ethyl-[11-(laurylthio)undecanoyl]amino]undecanoylamino]propionate Formula: C39H75N2NaO4S MolecularWeight: 691.07857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCCC(=O)[O-].[Na+]

InChI

InChI=1S/C39H76N2O4S.Na/c1-3-5-6-7-8-9-13-18-23-28-35-46-36-29-24-19-14-11-16-21-26-31-38(43)41(4-2)34-27-22-17-12-10-15-20-25-30-37(42)40-33-32-39(44)45;/h3-36H2,1-2H3,(H,40,42)(H,44,45);/q;+1/p-1