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

Systemtic Name: [(2S)-3-hexylsulfanyl-2-(undecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hexylsulfanyl-2-(undecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxoundecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexylsulfanyl-2-(undecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-3-(hexylthio)-2-(undecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C25H53N2O5PS MolecularWeight: 524.737481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H53N2O5PS/c1-6-8-10-12-13-14-15-16-18-25(28)26-24(23-34-21-17-11-9-7-2)22-32-33(29,30)31-20-19-27(3,4)5/h24H,6-23H2,1-5H3,(H-,26,28,29,30)/t24-/m0/s1