| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N2c1ccccc1N(C2=O)Cc4cc(Br)cc3NC(=O)Cc34)CCC |
| InChI | InChI | 1.03 | InChI=1S/C22H22BrN3O4/c1-2-5-15(10-21(28)29)26-19-7-4-3-6-18(19)25(22(26)30)12-13-8-14(23)9-17-16(13)11-20(27)24-17/h3-4,6-9,15H,2,5,10-12H2,1H3,(H,24,27)(H,28,29)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | HGSJUJNYFCUFGB-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC[C@@H](CC(O)=O)N1C(=O)N(Cc2cc(Br)cc3NC(=O)Cc23)c4ccccc14 |
| SMILES | CACTVS | 3.370 | CCC[CH](CC(O)=O)N1C(=O)N(Cc2cc(Br)cc3NC(=O)Cc23)c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCC(CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br |
