3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoic acid

Systemtic Name: 3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoic acid Openeye Name: 3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoic acid CAS Name: 3-[[11-[[17-(dodecylthio)-1-oxoheptadecyl]amino]-1-oxoundecyl]amino]propanoic acid IUPAC Name: 3-[11-(17-dodecylsulfanylheptadecanoylamino)undecanoylamino]propanoic acid Traditional Name: 3-[11-[17-(laurylthio)heptadecanoylamino]undecanoylamino]propionic acid Formula: C43H84N2O4S MolecularWeight: 725.20306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)O

InChI

InChI=1S/C43H84N2O4S/c1-2-3-4-5-6-7-17-22-27-32-39-50-40-33-28-23-18-13-11-9-8-10-12-14-19-24-29-34-41(46)44-37-31-26-21-16-15-20-25-30-35-42(47)45-38-36-43(48)49/h2-40H2,1H3,(H,44,46)(H,45,47)(H,48,49)