GDV
Summary
| Name: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE |
| Formula: | C17 H21 N4 O5 |
| Formal charge: | 1 |
| Formula weight: | 361.372 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R,6R,7R,8S)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-2-(phenylcarbamoyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
| OpenEye OEToolkits | 1.5.0 | (5R,6R,7R,8S)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1c[n+]2c(n1)C(NC(=O)C)C(O)C(O)C2CO)Nc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[n+]2cc([nH]c12)C(=O)Nc3ccccc3 |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)[n+]2cc([nH]c12)C(=O)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1c2[nH]c(c[n+]2C(C(C1O)O)CO)C(=O)Nc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H20N4O5/c1-9(23)18-13-15(25)14(24)12(8-22)21-7-11(20-16(13)21)17(26)19-10-5-3-2-4-6-10/h2-7,12-15,22,24-25H,8H2,1H3,(H2,18,19,23,26)/p+1/t12-,13-,14-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | WWSQBPPKQTUEDT-KBUPBQIOSA-O |
