GYU
概要
| 表記: | 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose |
| 別名: | 2-(ACETYLAMINO)-2-DEOXY-1-O-(PROPYLCARBAMOYL)-ALPHA-D-GLUCOPYRANOSE N-acetyl-1-O-(propylcarbamoyl)-alpha-D-glucosamine; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucose; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-D-glucose; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-glucose |
| 組成式: | C12 H22 N2 O7 |
| 電荷: | 0 |
| 化学式量: | 306.312 Da |
| 分子種別: | D-saccharide |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2-(acetylamino)-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate |
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(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCNC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |
| SMILES | CACTVS | 3.341 | CCCNC(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCNC(=O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H22N2O7/c1-3-4-13-12(19)21-11-8(14-6(2)16)10(18)9(17)7(5-15)20-11/h7-11,15,17-18H,3-5H2,1-2H3,(H,13,19)(H,14,16)/t7-,8-,9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | WEAGJSCGQDTQRE-ISUQUUIWSA-N |
