PF5
概要
| 表記: | 2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE |
| 別名: | FLUORINATED PHENYLALANINE |
| 組成式: | C9 H6 F5 N O2 |
| 電荷: | 0 |
| 化学式量: | 255.141 Da |
| 分子種別: | L-PEPTIDE LINKING |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2,3,4,5,6-pentafluoro-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)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 | Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(c1c(c(c(c(c1F)F)F)F)F)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | YYTDJPUFAVPHQA-VKHMYHEASA-N |
