Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3[se]ccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O2Se/c1-15-8-5-6-11-17(15)22-20(24)18(14-16-9-3-2-4-10-16)23-21(25)19-12-7-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | AGKDXQQYJWMFAB-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3[se]ccc3 |
SMILES | CACTVS | 3.385 | Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3[se]ccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccc[se]3 |