142
概要
| 表記: | CARBIDOPA |
| 別名: | KINSON 3-(3,4-DIHYDROXY-PHENYL)-2-HYDRAZINO-2-METHYL-PROPIONIC ACID |
| 組成式: | C10 H14 N2 O4 |
| 電荷: | 0 |
| 化学式量: | 226.229 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 | (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid |
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(O)C(NN)(Cc1cc(O)c(O)cc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O |
| SMILES | CACTVS | 3.341 | C[C](Cc1ccc(O)c(O)c1)(NN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | TZFNLOMSOLWIDK-JTQLQIEISA-N |
