3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoic acid

Systemtic Name: 3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoic acid Openeye Name: 3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoic acid CAS Name: 3-[[11-[[5-(dodecylthio)-1-oxopentyl]amino]-1-oxoundecyl]amino]propanoic acid IUPAC Name: 3-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]propanoic acid Traditional Name: 3-[11-[5-(laurylthio)pentanoylamino]undecanoylamino]propionic acid Formula: C31H60N2O4S MolecularWeight: 556.8841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)O

InChI

InChI=1S/C31H60N2O4S/c1-2-3-4-5-6-7-10-13-16-20-27-38-28-21-18-23-29(34)32-25-19-15-12-9-8-11-14-17-22-30(35)33-26-24-31(36)37/h2-28H2,1H3,(H,32,34)(H,33,35)(H,36,37)