2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 3-(2-oxidanylideneimidazol-4-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 3-(2-oxidanylideneimidazol-4-yl)propanoic acid Openeye Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 3-(2-oxoimidazol-4-yl)propanoic acid CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 3-(2-oxo-4-imidazolyl)propanoic acid IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 3-(2-oxoimidazol-4-yl)propanoic acid Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid; 3-(2-ketoimidazol-4-yl)propionic acid Formula: C12H15N5O5 MolecularWeight: 309.278

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)N.C1=NC(=O)N=C1CCC(=O)O

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)N.C1=NC(=O)N=C1CCC(=O)O

InChI

InChI=1S/C6H9N3O2.C6H6N2O3/c7-5(6(10)11)1-4-2-8-3-9-4;9-5(10)2-1-4-3-7-6(11)8-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2H2,(H,9,10)