Ligand |
||
 | ||
| Ligand Name: N-(iodoacetyl)-L-valyl-L-phenylalaninamide | ||
| Ligand Type: peptide-like | ||
| Ligand ID: COVPDB960 | PubChem: 53908297 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ICC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C16H22IN3O3/c1-10(2)14(20-13(21)9-17)16(23)19-12(15(18)22)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1 | ||
| Molecular Formula: C16H22IN3O3 | Mol. Weight: 431.0706 | logP: 0.775 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 8 | TPSA: 101.29 | |