Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2 |
SMILES | CACTVS | 3.341 | OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O |
InChI | InChI | 1.03 | InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | ZAHVYMBTUDWUAX-HNNXBMFYSA-N |