sodium 3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoate

Systemtic Name: sodium 3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoate Openeye Name: sodium 3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoate CAS Name: sodium 3-[[11-[[5-(dodecylthio)-1-oxopentyl]amino]-1-oxoundecyl]amino]propanoate IUPAC Name: sodium 3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoate Traditional Name: sodium 3-[11-[5-(laurylthio)pentanoylamino]undecanoylamino]propionate Formula: C31H59N2NaO4S MolecularWeight: 578.86593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60N2O4S.Na/c1-2-3-4-5-6-7-10-13-16-20-27-38-28-21-18-23-29(34)32-25-19-15-12-9-8-11-14-17-22-30(35)33-26-24-31(36)37;/h2-28H2,1H3,(H,32,34)(H,33,35)(H,36,37);/q;+1/p-1