3WS
Summary
| Name: | N,2-dimethyl-L-alanine |
| Formula: | C5 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 117.146 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,2-dimethyl-L-alanine |
| OpenEye OEToolkits | 1.9.2 | 2-methyl-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) |
| InChIKey | InChI | 1.03 | DLAMVQGYEVKIRE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(C)(C)C(O)=O |
| SMILES | CACTVS | 3.385 | CNC(C)(C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C(=O)O)NC |
