[(2S)-2-acetamido-3-hexadecylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-2-acetamido-3-hexadecylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-acetamido-3-hexadecylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-2-acetamido-3-(hexadecylthio)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-acetamido-3-hexadecylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-acetamido-3-(cetylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C26H55N2O5PS MolecularWeight: 538.764061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C

InChI

InChI=1S/C26H55N2O5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-24-26(27-25(2)29)23-33-34(30,31)32-21-20-28(3,4)5/h26H,6-24H2,1-5H3,(H-,27,29,30,31)/t26-/m0/s1