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| Ligand Name: Ac-Leu-Phe-CF3 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1074 |
PubChem:
3082654
|
Synonym(s):
- 1,1,1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone)
- 113215-69-3
- n-acetyl-leucyl-phenylalanyl trifluoromethyl ketone
- n-acetyl-l-leucyl-l-phenylalanyltrifluoromethane
- dtxsid30150325
- trifluoro(ac-l-leu-l-phe-)methane
- db08119
- q27097348
- n~2~-acetyl-n-[(1s)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]-l-leucinamide
- pentanamide, 2-(acetylamino)-4-methyl-n-(3,3,3-trifluoro-2-oxo-1-(phenylmethyl)propyl)-, (s-(r*,r*))-
show 9 synonym(s)
|
| DrugBank: DB08119 |
ChEMBL: CHEMBL1234074 |
| Canonical SMILES: CC(C)C[C@H](NC(=O)C)C(=O)N[C@H](C(=O)C(F)(F)F)Cc1ccccc1 |
| Standard InChI: InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1 |
| Molecular Formula: C18H23F3N2O3 |
Mol. Weight: 372.16608 |
logP: 2.3961 |
| HBD: 2 | HBA: 3 |
| #Rotatable Bonds: 8 | TPSA: 75.27 |