| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c2c(C(=O)O)cc(CC(B(O)O)NC(=O)Cc1cccs1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | SHAOGLYXUUWVRD-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc2sccc2 |
| SMILES | CACTVS | 3.385 | OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O |
