[(1R,2S)-1-(3-methylsulfanylphenyl)-1-(octanoylamino)propan-2-yl] dihydrogen phosphate

Systemtic Name: [(1R,2S)-1-(3-methylsulfanylphenyl)-1-(octanoylamino)propan-2-yl] dihydrogen phosphate Openeye Name: [(1S,2R)-1-methyl-2-(3-methylsulfanylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [(1R,2S)-1-[3-(methylthio)phenyl]-1-(1-oxooctylamino)propan-2-yl] dihydrogen phosphate IUPAC Name: [(1R,2S)-1-(3-methylsulfanylphenyl)-1-(octanoylamino)propan-2-yl] dihydrogen phosphate Traditional Name: [(1S,2R)-2-(caprylylamino)-1-methyl-2-[3-(methylthio)phenyl]ethyl] dihydrogen phosphate Formula: C18H30NO5PS MolecularWeight: 403.473261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC(=CC=C1)SC)C(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=O)N[C@H](C1=CC(=CC=C1)SC)[C@H](C)OP(=O)(O)O

InChI

InChI=1S/C18H30NO5PS/c1-4-5-6-7-8-12-17(20)19-18(14(2)24-25(21,22)23)15-10-9-11-16(13-15)26-3/h9-11,13-14,18H,4-8,12H2,1-3H3,(H,19,20)(H2,21,22,23)/t14-,18-/m0/s1