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| Ligand Name: (2S)-1-[(2R)-2-(methylamino)-3-phenyl-propanoyl]-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxo-pentan-2-yl]pyrrolidine-2-carboxamide |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB1090 |
PubChem:
5288794
|
Synonym(s):
- [dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine
- q27463099
- (4s)-4-[(n-methyl-d-phe-l-pro-)amino]-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one
- n-methyl-d-phenylalanyl-n-[(2s)-4,4,5,5,5-pentafluoro-1-(1h-indol-3-yl)-3-oxopentan-2-yl]-l-prolinamide
show 3 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1234249 |
| Canonical SMILES: CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(F)(F)C(F)(F)F |
| Standard InChI: InChI=1S/C28H29F5N4O3/c1-34-22(14-17-8-3-2-4-9-17)26(40)37-13-7-12-23(37)25(39)36-21(24(38)27(29,30)28(31,32)33)15-18-16-35-20-11-6-5-10-19(18)20/h2-6,8-11,16,21-23,34-35H,7,12-15H2,1H3,(H,36,39)/t21-,22+,23-/m0/s1 |
| Molecular Formula: C28H29F5N4O3 |
Mol. Weight: 564.216 |
logP: 3.7836 |
| HBD: 3 | HBA: 4 |
| #Rotatable Bonds: 10 | TPSA: 94.3 |