3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoic acid

Systemtic Name: 3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoic acid Openeye Name: 3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoic acid CAS Name: 3-[[11-[[7-(dodecylthio)-1-oxoheptyl]amino]-1-oxoundecyl]amino]propanoic acid IUPAC Name: 3-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]propanoic acid Traditional Name: 3-[11-[7-(laurylthio)heptanoylamino]undecanoylamino]propionic acid Formula: C33H64N2O4S MolecularWeight: 584.93726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCC(=O)O

InChI

InChI=1S/C33H64N2O4S/c1-2-3-4-5-6-7-10-13-17-22-29-40-30-23-18-15-20-24-31(36)34-27-21-16-12-9-8-11-14-19-25-32(37)35-28-26-33(38)39/h2-30H2,1H3,(H,34,36)(H,35,37)(H,38,39)