disodium [3-oxidanylidene-4-(phenylmethoxycarbonylamino)butan-2-yl] phosphate

Systemtic Name: disodium [3-oxidanylidene-4-(phenylmethoxycarbonylamino)butan-2-yl] phosphate Openeye Name: disodium [3-(benzyloxycarbonylamino)-1-methyl-2-oxo-propyl] phosphate CAS Name: disodium [3-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] phosphate IUPAC Name: disodium [3-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] phosphate Traditional Name: disodium [3-(benzyloxycarbonylamino)-2-keto-1-methyl-propyl] phosphate Formula: C12H14NNa2O7P MolecularWeight: 361.195361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CNC(=O)OCC1=CC=CC=C1)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC(C(=O)CNC(=O)OCC1=CC=CC=C1)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C12H16NO7P.2Na/c1-9(20-21(16,17)18)11(14)7-13-12(15)19-8-10-5-3-2-4-6-10;;/h2-6,9H,7-8H2,1H3,(H,13,15)(H2,16,17,18);;/q;2*+1/p-2