3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoic acid

Systemtic Name: 3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoic acid Openeye Name: 3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoic acid CAS Name: 3-[[11-[[17-(dodecylthio)-1-oxoheptadecyl]-ethylamino]-1-oxoundecyl]amino]propanoic acid IUPAC Name: 3-[11-[17-dodecylsulfanylheptadecanoyl(ethyl)amino]undecanoylamino]propanoic acid Traditional Name: 3-[11-[ethyl-[17-(laurylthio)heptadecanoyl]amino]undecanoylamino]propionic acid Formula: C45H88N2O4S MolecularWeight: 753.25622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H88N2O4S/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)