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

Systemtic Name: [(2S)-3-hexadecylsulfanyl-2-(undecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hexadecylsulfanyl-2-(undecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexadecylthio)-2-(1-oxoundecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexadecylsulfanyl-2-(undecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-3-(cetylthio)-2-(undecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H73N2O5PS MolecularWeight: 665.003281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H73N2O5PS/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-31-44-33-34(32-42-43(39,40)41-30-29-37(3,4)5)36-35(38)28-26-24-22-15-13-11-9-7-2/h34H,6-33H2,1-5H3,(H-,36,38,39,40)/t34-/m0/s1