SKG
Summary
| Name: | 4-methylisoleucine |
| Synonyms: | 2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.199 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | VFEDCKXLINRKLV-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](C)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](C)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](C(=O)O)N)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C)C(C(=O)O)N |
