disodium (2S)-2-(pyridin-3-ylcarbonylamino)pentanedioate

Systemtic Name: disodium (2S)-2-(pyridin-3-ylcarbonylamino)pentanedioate Openeye Name: disodium (2S)-2-(pyridine-3-carbonylamino)pentanedioate CAS Name: disodium (2S)-2-[[oxo(3-pyridinyl)methyl]amino]pentanedioate IUPAC Name: disodium (2S)-2-(pyridine-3-carbonylamino)pentanedioate Traditional Name: disodium (2S)-2-nicotinamidoglutarate Formula: C11H10N2Na2O5 MolecularWeight: 296.18704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5.2Na/c14-9(15)4-3-8(11(17)18)13-10(16)7-2-1-5-12-6-7;;/h1-2,5-6,8H,3-4H2,(H,13,16)(H,14,15)(H,17,18);;/q;2*+1/p-2/t8-;;/m0../s1