Ligand |
||
 | ||
| Ligand Name: (2S)-2-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetamido]-N-({[(2E)-3-methanesulfonylprop-2-en-1-yl]carbamoyl}methyl)-3,3-dimethylbutanamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB204 | PubChem: 118720238 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: CHEMBL3354498 | |
| Canonical SMILES: Clc1cc(cc(Cl)c1)[C@H](NCC)C(=O)N[C@@H](C(C)(C)C)C(=O)NCC(=O)NC/C=C/S(=O)(=O)C | ||
| Standard InChI: InChI=1S/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/m0/s1 | ||
| Molecular Formula: C22H32Cl2N4O5S | Mol. Weight: 534.14703 | logP: 1.9656 |
| HBD: 4 | HBA: 6 | |
| #Rotatable Bonds: 11 | TPSA: 133.47 | |