(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-oxidanylidene-3-phenyl-propanoic acid Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-oxo-3-phenyl-propanoic acid CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-oxo-3-phenylpropanoic acid IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-oxo-3-phenylpropanoic acid Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; 2-keto-3-phenyl-propionic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(=O)O.C1=C(NC=N1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H8O3.C6H9N3O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4/h1-5H,6H2,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11)/t;5-/m.0/s1