9DK
Summary
| Name: | 3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid |
| Formula: | C10 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 225.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O3/c1-10(2,9(15)16)8(14)12-4-3-7-5-11-6-13-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16) |
| InChIKey | InChI | 1.03 | OLRNECHDEZIYJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C(O)=O)C(=O)NCCc1c[nH]cn1 |
| SMILES | CACTVS | 3.385 | CC(C)(C(O)=O)C(=O)NCCc1c[nH]cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O |
