OGC
Summary
| Name: | gamma-N-methyl-beta-OH-histidine |
| Synonyms: | (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid 3-(1H-imidazol-3-ium-4-yl)-L-alanine |
| Formula: | C7 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 185.181 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1 |
| InChIKey | InChI | 1.06 | JEWWRPRBMRIIAC-PHDIDXHHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cncc1[C@@H](O)[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cncc1[CH](O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cncc1[C@H]([C@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cncc1C(C(C(=O)O)N)O |
