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| Ligand Name: Z-Leu-Leu-Leu-B(OH)2 |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB642 |
PubChem:
490002
|
Synonym(s):
- mg-262
- ps-iii
- mg262
- unii-549v4dp94w
- 179324-22-2
- chembl114388
- 549v4dp94w
- boro-lll
- ((5s,8s,11r)-5,8-diisobutyl-13-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazatetradecan-11-yl)boronic acid
- z-leu-leu-leu-b(oh)2 (mg262)
- [(1r)-1-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butyl]boronic acid
- mg 262
- schembl12384366
- dtxsid80170795
- bdbm50069984
- zinc169998630
- [(1r)-3-methyl-1-[[(2s)-4-methyl-2-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]butyl]boronic acid
- a8179
- q27261199
- l-leucinamide, n-[(phenylmethoxy)carbonyl]-l-leucyl-n1-[(1r)-1-borono-3-methylbutyl]-
- (r)-1-((s)-2-((s)-2-(benzyloxycarbonyl)-4-methylpentanamido)-4-methylpentanamido)-3-methylbutylboronic acid
show 20 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL114388 |
| Canonical SMILES: CC(C)C[C@@H](B(O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |
| Standard InChI: InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1 |
| Molecular Formula: C25H42BN3O6 |
Mol. Weight: 491.31668 |
logP: 2.4013 |
| HBD: 5 | HBA: 6 |
| #Rotatable Bonds: 14 | TPSA: 136.99 |