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| Ligand ID | A1L0C |
| InChI | InChI=1S/C18H33BN5O5/c1-12(2)9-17(19(27,28)29-13(3)15(20)11-25)21-18(26)16-10-24(23-22-16)14-7-5-4-6-8-14/h10-15,17,27-28H,4-9,20H2,1-3H3,(H,21,26)/t13-,15-,17+/m1/s1 |
| InChIKey | BGAPNVWHFZNTJI-UNEWFSDZSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)C[CH](NC(=O)c1cn(nn1)C2CCCCC2)[B](O)(O)O[CH](C)[CH](N)C=O | | CACTVS 3.385 | CC(C)C[C@H](NC(=O)c1cn(nn1)C2CCCCC2)[B](O)(O)O[C@H](C)[C@H](N)C=O | | OpenEye OEToolkits 2.0.7 | B(C(CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O)(O)OC(C)C(C=O)N | | OpenEye OEToolkits 2.0.7 | B([C@H](CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O)(O)O[C@H](C)[C@@H](C=O)N |
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| Formula | C18 H33 B N5 O5 |
| Name | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl]oxy-[(1~{R})-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]-$l^{3}-oxidanyl-oxidanyl-boron |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ypk Chain C Residue 301
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[View ligand structure]
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