DT6
概要
| 表記: | 2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose |
| 別名: | 2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose 2,4-bisacetamido-2,4-dideoxy-beta-D-glucose; 2,4-bisacetamido-2,4-dideoxy-D-glucose; 2,4-bisacetamido-2,4-dideoxy-glucose |
| 組成式: | C10 H18 N2 O6 |
| 電荷: | 0 |
| 化学式量: | 262.26 Da |
| 分子種別: | D-saccharide, beta linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | N-[(2S,3S,4S,5R,6R)-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]ethanamide |
| GMML | 1.0 | DGlcpNAc[4NAc]b |
| GMML | 1.0 | N-acetyl-b-D-glucopyranose |
| PDB-CARE | 1.0 | b-D-GlcpNAc4NAc |
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 | 12.01 | O=C(NC1C(OC(O)C(NC(=O)C)C1O)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O6/c1-4(14)11-7-6(3-13)18-10(17)8(9(7)16)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | VNVBLPSANNIIQI-GRDBIXFFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](NC(C)=O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](NC(C)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1C(OC(C(C1O)NC(=O)C)O)CO |
