Ligand |
||
 | ||
| Ligand Name: (3S,4S)‐4‐ethyl‐1‐(4‐nitrobenzenesulfonyl)‐5‐oxopyrrolidine‐3‐carboxylic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1395 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC[C@H]1[C@@H](CN(C1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O | ||
| Standard InChI: InChI=1S/C13H14N2O7S/c1-2-10-11(13(17)18)7-14(12(10)16)23(21,22)9-5-3-8(4-6-9)15(19)20/h3-6,10-11H,2,7H2,1H3,(H,17,18)/t10-,11+/m0/s1 | ||
| Molecular Formula: C13H14N2O7S | Mol. Weight: 342.0522 | logP: 0.8527 |
| HBD: 1 | HBA: 6 | |
| #Rotatable Bonds: 5 | TPSA: 134.89 | |