ILX
Summary
| Name: | 4,5-DIHYDROXYISOLEUCINE |
| Formula: | C6 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 163.172 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R,4R)-2-amino-4,5-dihydroxy-3-methylpentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4R)-2-amino-4,5-dihydroxy-3-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(C)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]([C@H](N)C(O)=O)[C@@H](O)CO |
| SMILES | CACTVS | 3.341 | C[CH]([CH](N)C(O)=O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(CO)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c1-3(4(9)2-8)5(7)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | SGFRTCOTCWGGHB-YUPRTTJUSA-N |
