種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(=O)CF |
SMILES | CACTVS | 3.370 | C[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(=O)CF |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)CF)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1 |
InChIKey | InChI | 1.03 | RYABQRLJLIHDIP-KSSFIOAISA-N |