Ligand |
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| Ligand Name: N-Cyanomethyl-Nalpha-(diphenylacetyl)-3-methylphenylalaninamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB484 | PubChem: 11080121 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL140756 | |
| Canonical SMILES: c1ccccc1C(c2ccccc2)C(=O)N[C@H](C(=O)NCC#N)Cc3cc(C)ccc3 | ||
| Standard InChI: InChI=1S/C26H25N3O2/c1-19-9-8-10-20(17-19)18-23(25(30)28-16-15-27)29-26(31)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-14,17,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1 | ||
| Molecular Formula: C26H25N3O2 | Mol. Weight: 411.19467 | logP: 3.4942 |
| HBD: 2 | HBA: 3 | |
| #Rotatable Bonds: 8 | TPSA: 81.99 | |