sodium 3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoate

Systemtic Name: sodium 3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoate Openeye Name: sodium 3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoate CAS Name: sodium 3-[[11-[[17-(dodecylthio)-1-oxoheptadecyl]-ethylamino]-1-oxoundecyl]amino]propanoate IUPAC Name: sodium 3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoate Traditional Name: sodium 3-[11-[ethyl-[17-(laurylthio)heptadecanoyl]amino]undecanoylamino]propionate Formula: C45H87N2NaO4S MolecularWeight: 775.23805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCCC(=O)[O-].[Na+]

InChI

InChI=1S/C45H88N2O4S.Na/c1-3-5-6-7-8-9-19-24-29-34-41-52-42-35-30-25-20-15-13-11-10-12-14-16-22-27-32-37-44(49)47(4-2)40-33-28-23-18-17-21-26-31-36-43(48)46-39-38-45(50)51;/h3-42H2,1-2H3,(H,46,48)(H,50,51);/q;+1/p-1