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| Ligand Name: (3S)-3-[(5-bromopyridin-3-yl)carbonylamino]-4-oxo-butanoic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1134 |
PubChem:
5288877
|
Synonym(s):
- (3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid
- aspartyl aldehyde 8
- nicotinic acid aldehyde 7
- chembl67955
- bdbm10561
- q27463715
- (3s)-3-(5-bromo-3-pyridinylcarbonylamino)-4-oxobutanoic acid
- (3s)-3-[(5-bromopyridin-3-yl)formamido]-4-oxobutanoic acid
show 7 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL67955 |
| Canonical SMILES: OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C=O |
| Standard InChI: InChI=1S/C10H9BrN2O4/c11-7-1-6(3-12-4-7)10(17)13-8(5-14)2-9(15)16/h1,3-5,8H,2H2,(H,13,17)(H,15,16)/t8-/m0/s1 |
| Molecular Formula: C10H9BrN2O4 |
Mol. Weight: 299.97458 |
logP: 0.6161 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 5 | TPSA: 96.36 |