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

Systemtic Name: disodium [2-(butanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(butanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-(1-oxobutylamino)-2-phenylethyl] phosphate IUPAC Name: disodium [2-(butanoylamino)-2-phenylethyl] phosphate Traditional Name: disodium (2-butyramido-2-phenyl-ethyl) phosphate Formula: C12H16NNa2O5P MolecularWeight: 331.212441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO5P.2Na/c1-2-6-12(14)13-11(9-18-19(15,16)17)10-7-4-3-5-8-10;;/h3-5,7-8,11H,2,6,9H2,1H3,(H,13,14)(H2,15,16,17);;/q;2*+1/p-2