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

Systemtic Name: [(2S)-3-hexylsulfanyl-2-(pentanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hexylsulfanyl-2-(pentanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxopentylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexylsulfanyl-2-(pentanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-3-(hexylthio)-2-(valerylamino)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C19H41N2O5PS MolecularWeight: 440.578001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCC

Isomeric SMILES

CCCCCCSC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCC

InChI

InChI=1S/C19H41N2O5PS/c1-6-8-10-11-15-28-17-18(20-19(22)12-9-7-2)16-26-27(23,24)25-14-13-21(3,4)5/h18H,6-17H2,1-5H3,(H-,20,22,23,24)/t18-/m0/s1