disodium (2S)-2-(phenylmethoxycarbonylamino)butanedioate

Systemtic Name: disodium (2S)-2-(phenylmethoxycarbonylamino)butanedioate Openeye Name: disodium (2S)-2-(benzyloxycarbonylamino)butanedioate CAS Name: disodium (2S)-2-(phenylmethoxycarbonylamino)butanedioate IUPAC Name: disodium (2S)-2-(phenylmethoxycarbonylamino)butanedioate Traditional Name: disodium (2S)-2-(benzyloxycarbonylamino)succinate Formula: C12H11NNa2O6 MolecularWeight: 311.19838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H13NO6.2Na/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8;;/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17);;/q;2*+1/p-2/t9-;;/m0../s1