| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C(=O)N(C=CN2C(=O)NC(c1ccc(O)cc1)C(=O)NCB(O)O)CC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN1C=CN(C(=O)N[C@@H](C(=O)NCB(O)O)c2ccc(O)cc2)C(=O)C1=O |
| SMILES | CACTVS | 3.370 | CCN1C=CN(C(=O)N[CH](C(=O)NCB(O)O)c2ccc(O)cc2)C(=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | B(CNC(=O)[C@@H](c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | B(CNC(=O)C(c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H19BN4O7/c1-2-20-7-8-21(15(25)14(20)24)16(26)19-12(13(23)18-9-17(27)28)10-3-5-11(22)6-4-10/h3-8,12,22,27-28H,2,9H2,1H3,(H,18,23)(H,19,26)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | VFZCHJQIIUDDPB-GFCCVEGCSA-N |
