A1EEZ
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoic acid |
| Synonyms: | 2-(acetylamino)-2-deoxy-D-gluconic acid |
| Formula: | C8 H15 N O7 |
| Formal charge: | 0 |
| Formula weight: | 237.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5?,6+,7+/m0/s1 |
| InChIKey | InChI | 1.06 | LZKNVSNNPRQZJB-LMMQKCLSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(C(C(C(CO)O)O)O)C(=O)O |
