2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate Openeye Name: 2-(4,5-dihydrothiazol-2-ylamino)ethyl (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate CAS Name: 2-(4,5-dihydrothiazol-2-ylamino)ethyl (2-methoxy-3-octadecoxypropyl) hydrogen phosphate IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl (2-methoxy-3-octadecoxypropyl) hydrogen phosphate Traditional Name: (2-methoxy-3-stearyloxy-propyl) 2-(2-thiazolin-2-ylamino)ethyl hydrogen phosphate Formula: C27H55N2O6PS MolecularWeight: 566.774161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCNC1=NCCS1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCNC1=NCCS1)OC

InChI

InChI=1S/C27H55N2O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-24-26(32-2)25-35-36(30,31)34-22-19-28-27-29-20-23-37-27/h26H,3-25H2,1-2H3,(H,28,29)(H,30,31)