(2R,3S)-2-azaniumyl-3-phenyl-pentanedioate

Systemtic Name: (2R,3S)-2-azaniumyl-3-phenyl-pentanedioate Openeye Name: (2R,3S)-2-azaniumyl-3-phenyl-pentanedioate CAS Name: (2R,3S)-2-ammonio-3-phenylpentanedioate IUPAC Name: (2R,3S)-2-azaniumyl-3-phenylpentanedioate Traditional Name: (2R,3S)-2-ammonio-3-phenyl-glutarate Formula: C11H12NO4- MolecularWeight: 222.21728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c12-10(11(15)16)8(6-9(13)14)7-4-2-1-3-5-7/h1-5,8,10H,6,12H2,(H,13,14)(H,15,16)/p-1/t8-,10+/m0/s1