| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2sccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXGRTNOGXAKRBS-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)[C@H](Cn1cc(nn1)C(O)=O)NC(=O)Cc2sccc2 |
| SMILES | CACTVS | 3.385 | OB(O)[CH](Cn1cc(nn1)C(O)=O)NC(=O)Cc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | B(C(Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O |
