GSZ
Summary
| Name: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE |
| Formula: | C20 H28 N3 O4 |
| Formal charge: | 1 |
| Formula weight: | 374.454 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-8-[(2-methylpropanoyl)amino]-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
| OpenEye OEToolkits | 1.5.0 | N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-phenethyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium-8-yl]-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)CO)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[n+]2cc(CCc3ccccc3)[nH]c12 |
| SMILES | CACTVS | 3.341 | CC(C)C(=O)N[CH]1[CH](O)[CH](O)[CH](CO)[n+]2cc(CCc3ccccc3)[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)NC1c2[nH]c(c[n+]2C(C(C1O)O)CO)CCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H27N3O4/c1-12(2)20(27)22-16-18(26)17(25)15(11-24)23-10-14(21-19(16)23)9-8-13-6-4-3-5-7-13/h3-7,10,12,15-18,24-26H,8-9,11H2,1-2H3,(H,22,27)/p+1/t15-,16-,17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | YCPLHXLUOSXDJD-BRSBDYLESA-O |
