種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | OCc1ccc(cc1)c1ccc(cc1)C(NC(=O)C(C)(C)C)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C20H24N2O4/c1-20(2,3)19(25)21-17(18(24)22-26)16-10-8-15(9-11-16)14-6-4-13(12-23)5-7-14/h4-11,17,23,26H,12H2,1-3H3,(H,21,25)(H,22,24)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | RZJKOPJQCUYRDV-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2ccc(CO)cc2 |
SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2ccc(CO)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccc(cc2)CO)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)NC(c1ccc(cc1)c2ccc(cc2)CO)C(=O)NO |