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

Systemtic Name: disodium [2-(heptanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(heptanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-(1-oxoheptylamino)-2-phenylethyl] phosphate IUPAC Name: disodium [2-(heptanoylamino)-2-phenylethyl] phosphate Traditional Name: disodium [2-(enanthylamino)-2-phenyl-ethyl] phosphate Formula: C15H22NNa2O5P MolecularWeight: 373.292181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24NO5P.2Na/c1-2-3-4-8-11-15(17)16-14(12-21-22(18,19)20)13-9-6-5-7-10-13;;/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,16,17)(H2,18,19,20);;/q;2*+1/p-2