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

Systemtic Name: [(2S)-3-hexadecylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hexadecylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexadecylthio)-2-(1-oxooctylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexadecylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-(caprylylamino)-3-(cetylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C32H67N2O5PS MolecularWeight: 622.923541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H67N2O5PS/c1-6-8-10-12-13-14-15-16-17-18-19-20-22-24-28-41-30-31(33-32(35)25-23-21-11-9-7-2)29-39-40(36,37)38-27-26-34(3,4)5/h31H,6-30H2,1-5H3,(H-,33,35,36,37)/t31-/m0/s1