sodium 3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoate

Systemtic Name: sodium 3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoate Openeye Name: sodium 3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoate CAS Name: sodium 3-[[11-[[7-(dodecylthio)-1-oxoheptyl]amino]-1-oxoundecyl]amino]propanoate IUPAC Name: sodium 3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoate Traditional Name: sodium 3-[11-[7-(laurylthio)heptanoylamino]undecanoylamino]propionate Formula: C33H63N2NaO4S MolecularWeight: 606.91909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H64N2O4S.Na/c1-2-3-4-5-6-7-10-13-17-22-29-40-30-23-18-15-20-24-31(36)34-27-21-16-12-9-8-11-14-19-25-32(37)35-28-26-33(38)39;/h2-30H2,1H3,(H,34,36)(H,35,37)(H,38,39);/q;+1/p-1