(2S,3S)-2-azaniumyl-3-(1H-imidazol-3-ium-5-yl)-4-phenyl-butanoate

Systemtic Name: (2S,3S)-2-azaniumyl-3-(1H-imidazol-3-ium-5-yl)-4-phenyl-butanoate Openeye Name: (2S,3S)-2-azaniumyl-3-(1H-imidazol-3-ium-5-yl)-4-phenyl-butanoate CAS Name: (2S,3S)-2-ammonio-3-(1H-imidazol-3-ium-5-yl)-4-phenylbutanoate IUPAC Name: (2S,3S)-2-azaniumyl-3-(1H-imidazol-3-ium-5-yl)-4-phenylbutanoate Traditional Name: (2S,3S)-2-ammonio-3-(1H-imidazol-3-ium-5-yl)-4-phenyl-butyrate Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=C[NH+]=CN2)C(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C2=C[NH+]=CN2)[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H15N3O2/c14-12(13(17)18)10(11-7-15-8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8,10,12H,6,14H2,(H,15,16)(H,17,18)/p+1/t10-,12+/m1/s1