TJI
Summary
| Name: | ethyl 3-bromanyl-2-methyl-propanoate |
| Synonyms: | Ethyl 2-(bromomethyl)acrylate (precursor) |
| Formula: | C6 H11 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 195.054 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 3-bromanyl-2-methyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | VTORDCJYLAYUQF-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H](C)CBr |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](C)CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(C)CBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(C)CBr |
