Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1cc(ccc1)CC(NC(=O)C)B(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O |
SMILES | CACTVS | 3.341 | CC(=O)N[CH](Cc1cccc(c1)C(O)=O)B(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | B(C(Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O |
InChI | InChI | 1.03 | InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | OBZSRKUYUGJGIM-JTQLQIEISA-N |