2-bromoethyl [3-(butanoylamino)-2-heptadecoxy-propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-(butanoylamino)-2-heptadecoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(butanoylamino)-2-heptadecoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [2-heptadecoxy-3-(1-oxobutylamino)propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(butanoylamino)-2-heptadecoxypropyl] hydrogen phosphate Traditional Name: 2-bromoethyl (3-butyramido-2-heptadecoxy-propyl) hydrogen phosphate Formula: C26H53BrNO6P MolecularWeight: 586.579881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)(O)OCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)(O)OCCBr

InChI

InChI=1S/C26H53BrNO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-25(23-28-26(29)19-4-2)24-34-35(30,31)33-22-20-27/h25H,3-24H2,1-2H3,(H,28,29)(H,30,31)