 |
| Ligand Name: VX-765 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1213 |
PubChem:
11398092
|
Synonym(s):
- belnacasan
- 273404-37-8
- belnacasan (vx-765)
- vx765
- belnacasan (vx765)
- unii-00ole78529
- belnacasan(vx-765)
- (s)-1-((s)-2-(4-amino-3-chlorobenzamido)-3,3-dimethylbutanoyl)-n-((2r,3s)-2-ethoxy-5-oxotetrahydrofuran-3-yl)pyrrolidine-2-carboxamide
- 851091-96-8
- 00ole78529
- n-(4-amino-3-chlorobenzoyl)-3-methyl-l-valyl-n-[(2r,3s)-2-ethoxytetrahydro-5-oxo-3-furanyl]-l-prolinamide
- (2s)-1-[(2s)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-n-[(2r,3s)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
- vx 765
- (2s)-1-[(2s)-2-[(4-amino-3-chlorophenyl)formamido]-3,3-dimethylbutanoyl]-n-[(2r,3s)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
- belnacasan (usan)
- belnacasan [usan:inn]
- vx-765 (belnacasan)
- qcr-2
- c24h33cln4o6
- cc-448
- gtpl9035
- schembl3393597
- chembl2107819
- dtxsid901017651
- hms3884b11
- amy24224
- aob87376
- zinc3963010
- mfcd11100350
- s2228
- akos024464751
- ccg-269769
- sb19181
- ncgc00183682-09
- ncgc00183682-10
- (s)-1-((s)-2-{[1-(4-amino-3-chloro-phenyl)-methanoyl]-amino}-3,3-dimethyl-butanoyl)-pyrrolidine-2-carboxylic acid ((2r,3s)-2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide
- 1-((2s)-2-((4-amino-3-chlorobenzoyl)amino)-3,3-dimethylbutanoyl)-n-((2r,3s)-2- ethoxy-5-oxo-tetrahydrofuran-3-yl)-l-prolinamide
- 1-(2-((1-(4-amino-3-chlorophenyl)methanoyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
- as-35159
- l-prolinamide, n-(4-amino-3-chlorobenzoyl)-3-methyl-l-valyl-n-((2r,3s)-2-ethoxytetrahydro-5-oxo-3-furanyl)-
- bcp0726000319
- ab0035843
- ft-0774330
- y0257
- d10416
- z-3198
- j-523035
- q27075000
- vx-765|||(2s)-1-[(2s)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-n-[(2r,3s)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
show 48 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL2107819 |
| Canonical SMILES: CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)c3ccc(N)c(Cl)c3 |
| Standard InChI: InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1 |
| Molecular Formula: C24H33ClN4O6 |
Mol. Weight: 508.20886 |
logP: 1.852 |
| HBD: 3 | HBA: 7 |
| #Rotatable Bonds: 7 | TPSA: 140.06 |