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| Ligand Name: CBAP |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB576 |
PubChem:
3082076
|
Synonym(s):
- 14796-35-1
- 2-cbapa
- dtxsid10163852
- (2s,5r,6r)-6-[[2-(2-carboxyphenyl)benzoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2'-carboxy(1,1'-biphenyl)-2-yl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta))-"]
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3-c3ccccc3C(O)=O)C(=O)N2[C@H]1C(O)=O |
| Standard InChI: InChI=1S/C22H20N2O6S/c1-22(2)16(21(29)30)24-18(26)15(19(24)31-22)23-17(25)13-9-5-3-7-11(13)12-8-4-6-10-14(12)20(27)28/h3-10,15-16,19H,1-2H3,(H,23,25)(H,27,28)(H,29,30)/t15-,16+,19-/m1/s1 |
| Molecular Formula: C22H20N2O6S |
Mol. Weight: 440.10422 |
logP: 2.2971 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 5 | TPSA: 124.01 |