3-[11-[61-dodecylsulfanylhenhexacontanoyl(ethyl)amino]undecanoylamino]propanoic acid

Systemtic Name: 3-[11-[61-dodecylsulfanylhenhexacontanoyl(ethyl)amino]undecanoylamino]propanoic acid Openeye Name: 3-[11-[61-dodecylsulfanylhenhexacontanoyl(ethyl)amino]undecanoylamino]propanoic acid CAS Name: 3-[[11-[[61-(dodecylthio)-1-oxohenhexacontyl]-ethylamino]-1-oxoundecyl]amino]propanoic acid IUPAC Name: 3-[11-[61-dodecylsulfanylhenhexacontanoyl(ethyl)amino]undecanoylamino]propanoic acid Traditional Name: 3-[11-[ethyl-[61-(laurylthio)henhexacontanoyl]amino]undecanoylamino]propionic acid Formula: C89H176N2O4S MolecularWeight: 1370.42574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCCC(=O)O

InChI

InChI=1S/C89H176N2O4S/c1-3-5-6-7-8-9-63-68-73-78-85-96-86-79-74-69-64-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-66-71-76-81-88(93)91(4-2)84-77-72-67-62-61-65-70-75-80-87(92)90-83-82-89(94)95/h3-86H2,1-2H3,(H,90,92)(H,94,95)