MXT
概要
表記: | 1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE |
組成式: | C13 H22 N2 O3 |
電荷: | 0 |
化学式量: | 254.325 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 | 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione |
OpenEye OEToolkits | 1.5.0 | 1-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)pyrrolidine-2,5-dione |
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=C1N(C(=O)CC1)C2CC(N(O)C(C)(C)C2)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)CC(CC(C)(C)N1O)N2C(=O)CCC2=O |
SMILES | CACTVS | 3.341 | CC1(C)CC(CC(C)(C)N1O)N2C(=O)CCC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C |
InChI | InChI | 1.03 | InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3 |
InChIKey | InChI | 1.03 | ZHMZILPINCAHPK-UHFFFAOYSA-N |