sodium 2-[11-(29-dodecylsulfanylnonacosanoylamino)undecanoylamino]ethanoate

Systemtic Name: sodium 2-[11-(29-dodecylsulfanylnonacosanoylamino)undecanoylamino]ethanoate Openeye Name: sodium 2-[11-(29-dodecylsulfanylnonacosanoylamino)undecanoylamino]acetate CAS Name: sodium 2-[[11-[[29-(dodecylthio)-1-oxononacosyl]amino]-1-oxoundecyl]amino]acetate IUPAC Name: sodium 2-[11-(29-dodecylsulfanylnonacosanoylamino)undecanoylamino]acetate Traditional Name: sodium 2-[11-[29-(laurylthio)nonacosanoylamino]undecanoylamino]acetate Formula: C54H105N2NaO4S MolecularWeight: 901.47727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C54H106N2O4S.Na/c1-2-3-4-5-6-7-29-34-39-44-49-61-50-45-40-35-30-25-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-26-31-36-41-46-52(57)55-48-43-38-33-28-27-32-37-42-47-53(58)56-51-54(59)60;/h2-51H2,1H3,(H,55,57)(H,56,58)(H,59,60);/q;+1/p-1