[(2S)-2-(dodecanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-2-(dodecanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-(dodecanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxododecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-(dodecanoylamino)-3-hexylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-3-(hexylthio)-2-(lauroylamino)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C26H55N2O5PS MolecularWeight: 538.764061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)CSCCCCCC

InChI

InChI=1S/C26H55N2O5PS/c1-6-8-10-12-13-14-15-16-17-19-26(29)27-25(24-35-22-18-11-9-7-2)23-33-34(30,31)32-21-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/t25-/m0/s1