sodium 3-[11-(13-dodecylsulfanyltridecanoylamino)undecanoylamino]propanoate

Systemtic Name: sodium 3-[11-(13-dodecylsulfanyltridecanoylamino)undecanoylamino]propanoate Openeye Name: sodium 3-[11-(13-dodecylsulfanyltridecanoylamino)undecanoylamino]propanoate CAS Name: sodium 3-[[11-[[13-(dodecylthio)-1-oxotridecyl]amino]-1-oxoundecyl]amino]propanoate IUPAC Name: sodium 3-[11-(13-dodecylsulfanyltridecanoylamino)undecanoylamino]propanoate Traditional Name: sodium 3-[11-[13-(laurylthio)tridecanoylamino]undecanoylamino]propionate Formula: C39H75N2NaO4S MolecularWeight: 691.07857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H76N2O4S.Na/c1-2-3-4-5-6-7-13-18-23-28-35-46-36-29-24-19-14-9-8-10-15-20-25-30-37(42)40-33-27-22-17-12-11-16-21-26-31-38(43)41-34-32-39(44)45;/h2-36H2,1H3,(H,40,42)(H,41,43)(H,44,45);/q;+1/p-1