4-(2,3-dihexadecoxypropylsulfanyl)-2-(hexadecanoylamino)butanoic acid

Systemtic Name: 4-(2,3-dihexadecoxypropylsulfanyl)-2-(hexadecanoylamino)butanoic acid Openeye Name: 4-(2,3-dihexadecoxypropylsulfanyl)-2-(hexadecanoylamino)butanoic acid CAS Name: 4-(2,3-dihexadecoxypropylthio)-2-(1-oxohexadecylamino)butanoic acid IUPAC Name: 4-(2,3-dihexadecoxypropylsulfanyl)-2-(hexadecanoylamino)butanoic acid Traditional Name: 4-(2,3-dicetyloxypropylthio)-2-palmitamido-butyric acid Formula: C55H109NO5S MolecularWeight: 896.52266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CSCCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CSCCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C55H109NO5S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-47-60-50-52(61-48-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)51-62-49-46-53(55(58)59)56-54(57)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-53H,4-51H2,1-3H3,(H,56,57)(H,58,59)