BBK
概要
表記: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose |
別名: | 2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose 2-acetamido-2-deoxy-5-thio-alpha-D-galactose; 2-acetamido-2-deoxy-5-thio-D-galactose; 2-acetamido-2-deoxy-5-thio-galactose |
組成式: | C8 H15 N O5 S |
電荷: | 0 |
化学式量: | 237.273 Da |
分子種別: | D-saccharide, alpha linking |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | 2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose |
OpenEye OEToolkits | 1.7.6 | N-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)thian-3-yl]ethanamide |
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 | C1(O)C(C(O)C(C(S1)CO)O)NC(C)=O |
InChI | InChI | 1.03 | InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 |
InChIKey | InChI | 1.03 | DYCCLPFFILCZGU-CBQIKETKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]1[C@@H](O)S[C@H](CO)[C@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)S[CH](CO)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1C(C(C(SC1O)CO)O)O |