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

Systemtic Name: magnesium 2-[(2-azanyl-3-phenyl-propanoyl)amino]pentanedioate Openeye Name: magnesium 2-[(2-amino-3-phenyl-propanoyl)amino]pentanedioate CAS Name: magnesium 2-[(2-amino-1-oxo-3-phenylpropyl)amino]pentanedioate IUPAC Name: magnesium 2-[(2-amino-3-phenylpropanoyl)amino]pentanedioate Traditional Name: magnesium 2-(phenylalanylamino)glutarate Formula: C14H16MgN2O5 MolecularWeight: 316.59224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5.Mg/c15-10(8-9-4-2-1-3-5-9)13(19)16-11(14(20)21)6-7-12(17)18;/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21);/q;+2/p-2