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| Ligand Name: PSR-3-283A |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB188 |
PubChem:
9852179
|
Synonym(s):
- chembl416561
- schembl10735561
- bdbm50076678
- (2s,5r,6r)-6-hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- (2s,5r,6r)-6-hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL416561 |
| Canonical SMILES: CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O |
| Standard InChI: InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1 |
| Molecular Formula: C9H13NO6S |
Mol. Weight: 263.04636 |
logP: -1.5766 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 2 | TPSA: 111.98 |