A1A8T
Summary
| Name: | 3-methyl-L-isovaline |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-methyl-L-isovaline |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-2,3-dimethyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C(C)(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | GPYTYOMSQHBYTK-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@](C)(N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[C](C)(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@](C)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C)(C(=O)O)N |
