2-azanylethyl [(2S)-2-(hexanoylamino)-3-hexylsulfanyl-propyl] hydrogen phosphate

Systemtic Name: 2-azanylethyl [(2S)-2-(hexanoylamino)-3-hexylsulfanyl-propyl] hydrogen phosphate Openeye Name: 2-aminoethyl [(2S)-2-(hexanoylamino)-3-hexylsulfanyl-propyl] hydrogen phosphate CAS Name: 2-aminoethyl [(2S)-3-(hexylthio)-2-(1-oxohexylamino)propyl] hydrogen phosphate IUPAC Name: 2-aminoethyl [(2S)-2-(hexanoylamino)-3-hexylsulfanylpropyl] hydrogen phosphate Traditional Name: 2-aminoethyl [(2S)-2-(caproylamino)-3-(hexylthio)propyl] hydrogen phosphate Formula: C17H37N2O5PS MolecularWeight: 412.524841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(COP(=O)(O)OCCN)NC(=O)CCCCC

Isomeric SMILES

CCCCCCSC[C@H](COP(=O)(O)OCCN)NC(=O)CCCCC

InChI

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