disodium [(3R)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl] phosphate

Systemtic Name: disodium [(3R)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl] phosphate Openeye Name: disodium [(3R)-3-(benzyloxycarbonylamino)-2-oxo-butyl] phosphate CAS Name: disodium [(3R)-2-oxo-3-(phenylmethoxycarbonylamino)butyl] phosphate IUPAC Name: disodium [(3R)-2-oxo-3-(phenylmethoxycarbonylamino)butyl] phosphate Traditional Name: disodium [(3R)-3-(benzyloxycarbonylamino)-2-keto-butyl] phosphate Formula: C12H14NNa2O7P MolecularWeight: 361.195361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)COP(=O)([O-])[O-])NC(=O)OCC1=CC=CC=C1.[Na+].[Na+]

Isomeric SMILES

C[C@H](C(=O)COP(=O)([O-])[O-])NC(=O)OCC1=CC=CC=C1.[Na+].[Na+]

InChI

InChI=1S/C12H16NO7P.2Na/c1-9(11(14)8-20-21(16,17)18)13-12(15)19-7-10-5-3-2-4-6-10;;/h2-6,9H,7-8H2,1H3,(H,13,15)(H2,16,17,18);;/q;2*+1/p-2/t9-;;/m1../s1