TDF
概要
表記: | 4-(trifluoromethyl)-D-phenylalanine |
組成式: | C10 H10 F3 N O2 |
電荷: | 0 |
化学式量: | 233.187 Da |
分子種別: | D-peptide linking |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | 4-(trifluoromethyl)-D-phenylalanine |
OpenEye OEToolkits | 1.7.2 | (2R)-2-azanyl-3-[4-(trifluoromethyl)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)c1ccc(cc1)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | CRFFPDBJLGAGQL-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(cc1)C(F)(F)F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1CC(C(=O)O)N)C(F)(F)F |