| PDB CCD ID: | V35 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H14 B Cl N O4 |
| InChI: | InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1 |
| InChIKey: | FPCXTDQHLFRWCJ-SNVBAGLBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | [B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O | | CACTVS 3.341 | CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)O | | CACTVS 3.341 | CC(=O)N[C@H](Cc1ccc(Cl)cc1)[B-](O)(O)O | | ACDLabs 10.04 | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O | | OpenEye OEToolkits 1.5.0 | [B-](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O |
|
| Name: | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID;
D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID |
| DrugBank: | DB08692 |
| ZINC: | ZINC000169748514 |
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