(2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-ammonio-1-oxo-3-phenylpropyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-phenyl-propanoyl]amino]glutarate Formula: C14H17N2O5- MolecularWeight: 293.29518

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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-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/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)/p-1/t10-,11-/m0/s1