2HF
Summary
| Name: | 2-fluoro-L-histidine |
| Formula: | C6 H9 F N3 O2 |
| Formal charge: | 1 |
| Formula weight: | 174.153 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-fluoro-1H-imidazol-3-ium-4-yl)-L-alanine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-(2-fluoro-1H-imidazol-3-ium-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1[nH+]c(cn1)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1c[nH]c(F)[nH+]1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1c[nH]c(F)[nH+]1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c([nH+]c([nH]1)F)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H8FN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/p+1/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | OYHWICVZBUWSBK-BYPYZUCNSA-O |
