| PDB CCD ID: | ZJ5 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H13 B N O5 S |
| InChI: | InChI=1S/C9H13BNO5S/c1-17(14,15)11-6-9-7-4-2-3-5-8(7)10(12,13)16-9/h2-5,9,11-13H,6H2,1H3/t9-/m0/s1 |
| InChIKey: | GHGXSIOIQUNTKP-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | B1(c2ccccc2C(O1)CNS(=O)(=O)C)(O)O | | CACTVS 3.385 | C[S](=O)(=O)NC[CH]1O[B](O)(O)c2ccccc12 | | OpenEye OEToolkits 2.0.7 | B1(c2ccccc2[C@@H](O1)CNS(=O)(=O)C)(O)O | | CACTVS 3.385 | C[S](=O)(=O)NC[C@@H]1O[B](O)(O)c2ccccc12 |
|
| Name: | ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide |
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