 |
| Ligand Name: Omuralide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1316 |
PubChem:
9794358
|
Synonym(s):
- clasto-lactacystin beta-lactone
- clasto-lactacystin |a-lactone
- (-)-omuralide
- 154226-60-5
- (1s,2r,5r)-5-[(1s)-1-hydroxy-2-methylpropyl]-2-methyl-7-oxa-4-azabicyclo[3.2.0]heptane-3,6-dione
- chembl381627
- schembl8234083
- zinc13644618
- (1r,4r,5s)-1-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
- hy-108549
- cs-0029132
- j-009264
- 6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 1-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-, (1r,4r,5s)-
show 12 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL381627 |
| Canonical SMILES: O=C1O[C@@H]([C@@H](C)C(=O)N2)[C@]12[C@@H](O)C(C)C |
| Standard InChI: InChI=1S/C10H15NO4/c1-4(2)6(12)10-7(15-9(10)14)5(3)8(13)11-10/h4-7,12H,1-3H3,(H,11,13)/t5-,6+,7+,10-/m1/s1 |
| Molecular Formula: C10H15NO4 |
Mol. Weight: 213.10011 |
logP: -0.5666 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 2 | TPSA: 75.63 |