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| Ligand Name: (10R,11S,13R)-2,12,15,15-tetramethyl-11-phenyl-14-oxa-5,6-dithia-2,9,12-triazahexadecane-10,13-diol |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB842 |
PubChem:
- |
| Synonym(s):
-
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CN(C)CCSSCCNC(=O)[C@@H](N(C)C(=O)OC(C)(C)C)c1ccccc1 |
| Standard InChI: InChI=1S/C20H33N3O3S2/c1-20(2,3)26-19(25)23(6)17(16-10-8-7-9-11-16)18(24)21-12-14-27-28-15-13-22(4)5/h7-11,17H,12-15H2,1-6H3,(H,21,24)/t17-/m0/s1 |
| Molecular Formula: C20H33N3O3S2 |
Mol. Weight: 427.62 |
logP: 2.61 |
| HBD: 1 | HBA: 3 |
| #Rotatable Bonds: 12 | TPSA: 61.88 |