4UZ
概要
| 表記: | 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose |
| 別名: | N-[(benzyloxy)carbonyl]-beta-D-glucosamine 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucose; 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-D-glucose; 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-glucose |
| 組成式: | C14 H19 N O7 |
| 電荷: | 0 |
| 化学式量: | 313.303 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-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.9.2 | (phenylmethyl) N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]carbamate |
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 | C2(O)C(NC(OCc1ccccc1)=O)C(OC(C2O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO7/c16-6-9-11(17)12(18)10(13(19)22-9)15-14(20)21-7-8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)/t9-,10-,11-,12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | FRTOTMQAWIIMKK-SYLRKERUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O)[C@H](NC(=O)OCc2ccccc2)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](NC(=O)OCc2ccccc2)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)COC(=O)NC2C(C(C(OC2O)CO)O)O |
