DYT
Summary
| Name: | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid |
| Formula: | C6 H7 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 174.585 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H7ClN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | JZLQYMHAXPPICX-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H](Cl)Cc1[nH]cnc1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](Cl)Cc1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c([nH]cn1)C[C@@H](C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c([nH]cn1)CC(C(=O)O)Cl |
