 |
| Ligand Name: 4-{[4-(3,5-dioxohexyl)phenyl]carbamoyl}butanoic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB702 |
PubChem:
18717148
|
Synonym(s):
- 4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid
- chebi:63773
- 192650-26-3
- 5-[4-(3,5-dioxohexyl)anilino]-5-oxopentanoic acid
- 5-{[4-(3,5-dioxohexyl)phenyl]amino}-5-oxopentanoic acid
- epitope id:161746
- schembl1536714
- dtxsid40595809
- 5-oxo-5-[4-(3,5-dioxohexyl)phenylamino]valeric acid
- q27132793
- 4-[4-(3,5-dioxo-hexyl)-phenylcarbamoyl]-butyric acid
show 10 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)CC(=O)CCc1ccc(NC(=O)CCCC(O)=O)cc1 |
| Standard InChI: InChI=1S/C17H21NO5/c1-12(19)11-15(20)10-7-13-5-8-14(9-6-13)18-16(21)3-2-4-17(22)23/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,18,21)(H,22,23) |
| Molecular Formula: C17H21NO5 |
Mol. Weight: 319.14197 |
logP: 2.3608 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 10 | TPSA: 100.54 |