HHI
Summary
| Name: | (2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid |
| Formula: | C6 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 153.139 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid |
| OpenEye OEToolkits | 1.7.0 | 3-(1H-imidazol-5-yl)-2-imino-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=[N@H])Cc1cncn1 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(=N)Cc1[nH]cnc1 |
| SMILES | CACTVS | 3.370 | OC(=O)C(=N)Cc1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/Cc1cnc[nH]1)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c([nH]cn1)CC(=N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H7N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,7H,1H2,(H,8,9)(H,10,11)/b7-5+ |
| InChIKey | InChI | 1.03 | KOGKMQJSUUSGFN-FNORWQNLSA-N |
