| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(NC(B(O)O)c1cc(C(=O)O)ccc1)Cc2sccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)[C@@H](NC(=O)Cc1sccc1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.341 | OB(O)[CH](NC(=O)Cc1sccc1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(C(c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | HQLQTGGLHBYZSA-ZDUSSCGKSA-N |
