RXL
Summary
| Name: | Dehydrovaline |
| Synonyms: | 2-azanyl-3-methyl-but-2-enoic acid |
| Formula: | C5 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 115.13 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-3-methyl-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8) |
| InChIKey | InChI | 1.06 | MNDXTFKURVNNSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=C(N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=C(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=C(C(=O)O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C(C(=O)O)N)C |
