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

Systemtic Name: [(2S)-3-hexylsulfanyl-2-(propanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hexylsulfanyl-2-(propanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxopropylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexylsulfanyl-2-(propanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-3-(hexylthio)-2-propionamido-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C17H37N2O5PS MolecularWeight: 412.524841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H37N2O5PS/c1-6-8-9-10-13-26-15-16(18-17(20)7-2)14-24-25(21,22)23-12-11-19(3,4)5/h16H,6-15H2,1-5H3,(H-,18,20,21,22)/t16-/m0/s1