Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](Cc1cccc(C(O)=O)c1O)B(O)O |
SMILES | CACTVS | 3.341 | CC(=O)N[CH](Cc1cccc(C(O)=O)c1O)B(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | B(C(Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O |
InChI | InChI | 1.03 | InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | MSRKDROGGGBNIX-VIFPVBQESA-N |