magnesium 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]butanedioate

Systemtic Name: magnesium 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]butanedioate Openeye Name: magnesium 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanedioate CAS Name: magnesium 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]butanedioate IUPAC Name: magnesium 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanedioate Traditional Name: magnesium 2-(tyrosylamino)succinate Formula: C13H14MgN2O6 MolecularWeight: 318.56506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC(=O)[O-])C(=O)[O-])N)O.[Mg+2]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC(=O)[O-])C(=O)[O-])N)O.[Mg+2]

InChI

InChI=1S/C13H16N2O6.Mg/c14-9(5-7-1-3-8(16)4-2-7)12(19)15-10(13(20)21)6-11(17)18;/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21);/q;+2/p-2