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

Systemtic Name: [(2S)-2-(heptanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-(heptanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxoheptylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-(heptanoylamino)-3-hexylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-(enanthylamino)-3-(hexylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C21H45N2O5PS MolecularWeight: 468.631161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45N2O5PS/c1-6-8-10-12-14-21(24)22-20(19-30-17-13-11-9-7-2)18-28-29(25,26)27-16-15-23(3,4)5/h20H,6-19H2,1-5H3,(H-,22,24,25,26)/t20-/m0/s1