種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,27)(H,25,26)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | BMOOQDWJJBWBKZ-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 |