HLE
Summary
| Name: | 3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE |
| Formula: | C8 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 189.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R)-3-formyl-N,2-dihydroxy-5-methylhexanamide |
| OpenEye OEToolkits | 1.5.0 | (2S,3R)-N,2-dihydroxy-3-methanoyl-5-methyl-hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)C(O)C(C=O)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@@H](C=O)[C@H](O)C(=O)NO |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](C=O)[CH](O)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C=O)C(C(=O)NO)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO4/c1-5(2)3-6(4-10)7(11)8(12)9-13/h4-7,11,13H,3H2,1-2H3,(H,9,12)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | YVDHZNIQWHUORH-BQBZGAKWSA-N |
