0JY
Summary
| Name: | 4-methyl-L-leucine |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-L-leucine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-4,4-dimethyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | LPBSHGLDBQBSPI-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)(C)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)CC(C(=O)O)N |
