sodium 2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]ethanoate

Systemtic Name: sodium 2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]ethanoate Openeye Name: sodium 2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]acetate CAS Name: sodium 2-[[11-[[11-(dodecylthio)-1-oxoundecyl]-ethylamino]-1-oxoundecyl]amino]acetate IUPAC Name: sodium 2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]acetate Traditional Name: sodium 2-[11-[ethyl-[11-(laurylthio)undecanoyl]amino]undecanoylamino]acetate Formula: C38H73N2NaO4S MolecularWeight: 677.05199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H74N2O4S.Na/c1-3-5-6-7-8-9-13-18-23-28-33-45-34-29-24-19-14-11-16-21-26-31-37(42)40(4-2)32-27-22-17-12-10-15-20-25-30-36(41)39-35-38(43)44;/h3-35H2,1-2H3,(H,39,41)(H,43,44);/q;+1/p-1