05O
概要
| 表記: | (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal |
| 組成式: | C10 H10 F3 N O3 |
| 電荷: | 0 |
| 化学式量: | 249.187 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 | O-(trifluoromethyl)-L-tyrosine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[4-(trifluoromethyloxy)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 | FC(F)(F)Oc1ccc(cc1)CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | YZXUCQCJZKJMIR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(OC(F)(F)F)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(C(=O)O)N)OC(F)(F)F |
