Ligand |
||
 | ||
| Ligand Name: (3S,4R)-1-TOSYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB127 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC[C@H]1[C@@H](N(C1=O)S(=O)(=O)c1ccc(C)cc1)C(O)=O | ||
| Standard InChI: InChI=1S/C13H15NO5S/c1-3-10-11(13(16)17)14(12(10)15)20(18,19)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3,(H,16,17)/t10-,11+/m0/s1 | ||
| Molecular Formula: C13H15NO5S | Mol. Weight: 297.0671 | logP: 1.00532 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 4 | TPSA: 91.75 | |