|
| Ligand ID | A1L0D |
| InChI | InChI=1S/C20H38BN5O5/c1-14(17(22)13-27)31-21(29,30)19(15-8-4-2-5-9-15)23-20(28)18-12-26(25-24-18)16-10-6-3-7-11-16/h12,14-17,19,27,29H,2-11,13,22,30H2,1H3,(H,23,28)/t14-,17-,19+/m1/s1 |
| InChIKey | FHUGSJNRJRMQPB-BJZITVGISA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](O[B-](O)([OH2+])[CH](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3)[CH](N)CO | | CACTVS 3.385 | C[C@@H](O[B-](O)([OH2+])[C@@H](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3)[C@H](N)CO | | OpenEye OEToolkits 2.0.7 | B(C(C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)([OH2])(O)OC(C)C(CO)N | | OpenEye OEToolkits 2.0.7 | B([C@H](C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)([OH2])(O)O[C@H](C)[C@@H](CO)N |
|
| Formula | C20 H38 B N5 O5 |
| Name | [(2~{R},3~{R})-3-azanyl-4-oxidanyl-butan-2-yl]oxy-[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]-$l^{3}-oxidanyl-oxidanyl-boron |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 8yvp Chain C Residue 302
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
