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| Ligand Name: (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB184 |
PubChem:
5287498
|
Synonym(s):
- chembl365822
- 1yt7
- schembl8369275
- bdbm50169488
- q27453776
- (1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl [(1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentyl]carbamate
- (1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl(1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate
- (r)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)butan-2-yl(s)-1,2-dioxo-1-(2-oxooxazolidin-3-ylamino)heptan-3-ylcarbamate
- [(s)-1-(2-oxo-oxazolidin-3-ylaminooxalyl)-pentyl]-carbamic acid (r)-2,2-dimethyl-1-[5-(4-trifluoromethyl-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-propyl ester
show 8 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL365822 |
| Canonical SMILES: O=C1OCCN1NC(=O)C(=O)[C@H](CCCC)NC(=O)O[C@@H](C(C)(C)C)Cc2nnc(o2)-c3ccc(C(F)(F)F)cc3 |
| Standard InChI: InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1 |
| Molecular Formula: C26H32F3N5O7 |
Mol. Weight: 583.2254 |
logP: 4.0501 |
| HBD: 2 | HBA: 9 |
| #Rotatable Bonds: 11 | TPSA: 152.96 |