V61
概要
| 表記: | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine |
| 組成式: | C9 H6 F4 I N O2 |
| 電荷: | 0 |
| 化学式量: | 363.048 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 | 12.01 | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[2,3,5,6-tetrakis(fluoranyl)-4-iodanyl-phenyl]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 | 12.01 | c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F |
| InChI | InChI | 1.03 | InChI=1S/C9H6F4INO2/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 | SLQALVZLWIWJLN-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c(F)c(F)c(I)c(F)c1F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c(F)c(F)c(I)c(F)c1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(c1c(c(c(c(c1F)F)I)F)F)C(C(=O)O)N |
