AVI
Summary
| Name: | N,N-dimethyl-L-histidine |
| Formula: | C8 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 183.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,N-dimethyl-L-histidine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-(dimethylamino)-3-(1H-imidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N(C)C)Cc1ncnc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | IMOBSLOLPCWZKQ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@@H](Cc1c[nH]cn1)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)[CH](Cc1c[nH]cn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)C(Cc1c[nH]cn1)C(=O)O |
