disodium 5-[[(2S)-2-azanyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoate

Systemtic Name: disodium 5-[[(2S)-2-azanyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoate Openeye Name: disodium 5-[[(2S)-2-amino-5-oxido-5-oxo-pentanoyl]amino]-2-hydroxy-benzoate CAS Name: disodium 5-[[(2S)-2-amino-5-oxido-1,5-dioxopentyl]amino]-2-hydroxybenzoate IUPAC Name: disodium 5-[[(2S)-2-amino-5-oxido-5-oxopentanoyl]amino]-2-hydroxybenzoate Traditional Name: disodium 5-[[(2S)-2-amino-5-keto-5-oxido-pentanoyl]amino]-2-hydroxy-benzoate Formula: C12H12N2Na2O6 MolecularWeight: 326.21302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C(CCC(=O)[O-])N)C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)[C@H](CCC(=O)[O-])N)C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C12H14N2O6.2Na/c13-8(2-4-10(16)17)11(18)14-6-1-3-9(15)7(5-6)12(19)20;;/h1,3,5,8,15H,2,4,13H2,(H,14,18)(H,16,17)(H,19,20);;/q;2*+1/p-2/t8-;;/m0../s1