(2R,4R)-2-azaniumyl-4-(phenylmethyl)pentanedioate

Systemtic Name: (2R,4R)-2-azaniumyl-4-(phenylmethyl)pentanedioate Openeye Name: (2R,4R)-2-azaniumyl-4-benzyl-pentanedioate CAS Name: (2R,4R)-2-ammonio-4-(phenylmethyl)pentanedioate IUPAC Name: (2R,4R)-2-azaniumyl-4-benzylpentanedioate Traditional Name: (2R,4R)-2-ammonio-4-benzyl-glutarate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C[C@H](C(=O)[O-])[NH3+])C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17)/p-1/t9-,10-/m1/s1