disodium [2-(pentanoylamino)-2-phenyl-ethyl] phosphate

Systemtic Name: disodium [2-(pentanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(pentanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-(1-oxopentylamino)-2-phenylethyl] phosphate IUPAC Name: disodium [2-(pentanoylamino)-2-phenylethyl] phosphate Traditional Name: disodium [2-phenyl-2-(valerylamino)ethyl] phosphate Formula: C13H18NNa2O5P MolecularWeight: 345.239021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

Isomeric SMILES

CCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

InChI

InChI=1S/C13H20NO5P.2Na/c1-2-3-9-13(15)14-12(10-19-20(16,17)18)11-7-5-4-6-8-11;;/h4-8,12H,2-3,9-10H2,1H3,(H,14,15)(H2,16,17,18);;/q;2*+1/p-2