ULN
概要
| 表記: | ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
| 組成式: | C21 H23 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 365.426 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H23N3O3/c1-12(13-6-4-3-5-7-13)17-8-14(9-18(23-17)21(26)22-2)20(25)24-19-15-10-27-11-16(15)19/h3-9,12,15-16,19H,10-11H2,1-2H3,(H,22,26)(H,24,25)/t12-,15-,16+,19+/m0/s1 |
| InChIKey | InChI | 1.03 | VTIIKJCRYRUFLT-NALNUFGESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[C@@H](C)c2ccccc2)C(=O)NC3[C@@H]4COC[C@H]34 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)C(=O)NC3[CH]4COC[CH]34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3C4C3COC4 |
