AH0
概要
| 表記: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID |
| 別名: | 1,6-anhydro-N-acetylmuramic acid |
| 組成式: | C11 H17 N O7 |
| 電荷: | 0 |
| 化学式量: | 275.255 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[(1R,2R,3R,4S,5R)-2-acetamido-4-hydroxy-7,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)OC1C(C2OCC(C1O)O2)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZFEGYUMHFZOYIY-YVNCZSHWSA-N |
