2T3
Summary
| Name: | (2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID |
| Formula: | C10 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 225.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3R)-2,3-dihydroxy-4-oxo-4-(phenylamino)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3R)-2,3-dihydroxy-4-oxo-4-phenylazanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccccc1)C(O)C(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]([C@@H](O)C(=O)Nc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]([CH](O)C(=O)Nc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)C(C(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | ZWXNRJCDXZFNLJ-HTQZYQBOSA-N |
