OYL
Summary
| Name: | 1-ethyl-L-histidine |
| Formula: | C8 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 183.208 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-ethyl-L-histidine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-(1-ethylimidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ncn(c1)CC |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | OAXCYOTUTFGTCJ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cnc(C[C@H](N)C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | CCn1cnc(C[CH](N)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCn1cc(nc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCn1cc(nc1)CC(C(=O)O)N |
