HL2
Summary
| Name: | (2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid |
| Synonyms: | BETA-HYDROXYLEUCINE |
| Formula: | C6 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 147.172 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.0 | (2S,3R)-2-azanyl-3-hydroxy-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(O)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@@H](O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)[C@H]([C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C(C(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | ZAYJDMWJYCTABM-CRCLSJGQSA-N |
