7W2
概要
| 表記: | (2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid |
| 組成式: | C11 H10 F5 N O2 |
| 電荷: | 0 |
| 化学式量: | 283.195 Da |
| 分子種別: | L-peptide linking |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic 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 |
| InChI | InChI | 1.03 | InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | IPKHUYODNKUTOQ-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)C(F)(F)F)F)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)C(F)(F)F)F)CCC(C(=O)O)N |
