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

Systemtic Name: magnesium 2-[(2-azanyl-3-phenyl-propanoyl)amino]butanedioate Openeye Name: magnesium 2-[(2-amino-3-phenyl-propanoyl)amino]butanedioate CAS Name: magnesium 2-[(2-amino-1-oxo-3-phenylpropyl)amino]butanedioate IUPAC Name: magnesium 2-[(2-amino-3-phenylpropanoyl)amino]butanedioate Traditional Name: magnesium 2-(phenylalanylamino)succinate Formula: C13H14MgN2O5 MolecularWeight: 302.56566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5.Mg/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17;/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20);/q;+2/p-2