B07
Summary
Name: | 2,6 DIMETHOXYBENZAMIDOBORONIC ACID |
Formula: | C10 H14 B N O5 |
Formal charge: | 0 |
Formula weight: | 239.033 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | {[(2,6-dimethoxybenzoyl)amino]methyl}boronic acid |
OpenEye OEToolkits | 1.9.2 | [(2,6-dimethoxyphenyl)carbonylamino]methylboronic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1c(OC)cccc1OC)NCB(O)O |
InChI | InChI | 1.03 | InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13) |
InChIKey | InChI | 1.03 | SXURQNHWSSEFLG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(OC)c1C(=O)NCB(O)O |
SMILES | CACTVS | 3.385 | COc1cccc(OC)c1C(=O)NCB(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | B(CNC(=O)c1c(cccc1OC)OC)(O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | B(CNC(=O)c1c(cccc1OC)OC)(O)O |