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| Ligand Name: 6alpha-(hydroxymethyl)penicillanic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB497 |
PubChem:
91931076
|
Synonym(s):
- chembl177463
- bdbm50076676
- sodium; (2s,5r,6s)-6-hydroxymethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: [O-]C(=O)[C@H]1C(C)(C)S[C@@H](N12)[C@H](C2=O)CO |
| Standard InChI: InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/p-1/t4-,5-,7+/m0/s1 |
| Molecular Formula: C9H12NO4S- |
Mol. Weight: 230.04926 |
logP: -1.5929 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 2 | TPSA: 80.67 |