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

Systemtic Name: [(2S)-2-(butanoylamino)-3-hexadecylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-(butanoylamino)-3-hexadecylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexadecylthio)-2-(1-oxobutylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-(butanoylamino)-3-hexadecylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-butyramido-3-(cetylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H59N2O5PS MolecularWeight: 566.817221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59N2O5PS/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-37-26-27(29-28(31)21-7-2)25-35-36(32,33)34-23-22-30(3,4)5/h27H,6-26H2,1-5H3,(H-,29,31,32,33)/t27-/m0/s1