Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H](NC(=O)c1c(F)cccc1c2ccccc2)[B-](O)(O)O |
SMILES | CACTVS | 3.352 | C[CH](NC(=O)c1c(F)cccc1c2ccccc2)[B-](O)(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | [B-]([C@@H](C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | [B-](C(C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C15H16BFNO4/c1-10(16(20,21)22)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-22H,1H3,(H,18,19)/q-1/t10-/m1/s1 |
InChIKey | InChI | 1.03 | OAGWFGAMTLQXFP-SNVBAGLBSA-N |