3DD
Summary
| Name: | (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID |
| Formula: | C10 H12 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 252.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3R)-4-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3R)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)C(O)Cn1c2ccnc(c2nc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nccc2n(C[C@@H](O)[C@@H](O)C(O)=O)cnc12 |
| SMILES | CACTVS | 3.341 | Nc1nccc2n(C[CH](O)[CH](O)C(O)=O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc(c2c1n(cn2)CC(C(C(=O)O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4O4/c11-9-7-5(1-2-12-9)14(4-13-7)3-6(15)8(16)10(17)18/h1-2,4,6,8,15-16H,3H2,(H2,11,12)(H,17,18)/t6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | PBWCZGPIALILAS-HTRCEHHLSA-N |
