sodium 3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoate

Systemtic Name: sodium 3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoate Openeye Name: sodium 3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoate CAS Name: sodium 3-[[11-[[17-(dodecylthio)-1-oxoheptadecyl]amino]-1-oxoundecyl]amino]propanoate IUPAC Name: sodium 3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoate Traditional Name: sodium 3-[11-[17-(laurylthio)heptadecanoylamino]undecanoylamino]propionate Formula: C43H83N2NaO4S MolecularWeight: 747.18489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)[O-].[Na+]

InChI

InChI=1S/C43H84N2O4S.Na/c1-2-3-4-5-6-7-17-22-27-32-39-50-40-33-28-23-18-13-11-9-8-10-12-14-19-24-29-34-41(46)44-37-31-26-21-16-15-20-25-30-35-42(47)45-38-36-43(48)49;/h2-40H2,1H3,(H,44,46)(H,45,47)(H,48,49);/q;+1/p-1