disodium [2-(2,2-dimethylpropanoylamino)-2-phenyl-ethyl] phosphate

Systemtic Name: disodium [2-(2,2-dimethylpropanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(2,2-dimethylpropanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-[(2,2-dimethyl-1-oxopropyl)amino]-2-phenylethyl] phosphate IUPAC Name: disodium [2-(2,2-dimethylpropanoylamino)-2-phenylethyl] phosphate Traditional Name: disodium [2-phenyl-2-(pivaloylamino)ethyl] phosphate Formula: C13H18NNa2O5P MolecularWeight: 345.239021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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