| PDB CCD ID: | HSI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H25 Cl O3 |
| InChI: | InChI=1S/C24H25ClO3/c1-2-3-4-5-6-21(17-23(26)27)24(28)20-13-9-18(10-14-20)7-8-19-11-15-22(25)16-12-19/h9-16,21H,2-6,17H2,1H3,(H,26,27)/t21-/m1/s1 |
| InChIKey: | UOBFNJXLVSPHNN-OAQYLSRUSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCCCCC[C@H](CC(O)=O)C(=O)c1ccc(cc1)C#Cc2ccc(Cl)cc2 | | OpenEye OEToolkits 1.5.0 | CCCCCCC(CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl | | OpenEye OEToolkits 1.5.0 | CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl | | ACDLabs 10.04 | Clc2ccc(C#Cc1ccc(C(=O)C(CC(=O)O)CCCCCC)cc1)cc2 | | CACTVS 3.341 | CCCCCC[CH](CC(O)=O)C(=O)c1ccc(cc1)C#Cc2ccc(Cl)cc2 |
|
| Name: | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID;
(4-(4-(2-(4-CHLOROPHENYL)ETHYNYL)PHENYL))-3-HEXYL-4-OXOBUTANOIC ACID |
| ZINC: | ZINC000013679402 |
zhanggroup.org