sodium 2-[11-[31-dodecylsulfanylhentriacontanoyl(ethyl)amino]undecanoylamino]ethanoate

Systemtic Name: sodium 2-[11-[31-dodecylsulfanylhentriacontanoyl(ethyl)amino]undecanoylamino]ethanoate Openeye Name: sodium 2-[11-[31-dodecylsulfanylhentriacontanoyl(ethyl)amino]undecanoylamino]acetate CAS Name: sodium 2-[[11-[[31-(dodecylthio)-1-oxohentriacontyl]-ethylamino]-1-oxoundecyl]amino]acetate IUPAC Name: sodium 2-[11-[31-dodecylsulfanylhentriacontanoyl(ethyl)amino]undecanoylamino]acetate Traditional Name: sodium 2-[11-[ethyl-[31-(laurylthio)hentriacontanoyl]amino]undecanoylamino]acetate Formula: C58H113N2NaO4S MolecularWeight: 957.58359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C58H114N2O4S.Na/c1-3-5-6-7-8-9-33-38-43-48-53-65-54-49-44-39-34-29-27-25-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-26-28-30-36-41-46-51-57(62)60(4-2)52-47-42-37-32-31-35-40-45-50-56(61)59-55-58(63)64;/h3-55H2,1-2H3,(H,59,61)(H,63,64);/q;+1/p-1