| PDB CCD ID: | IZ3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H22 F2 N4 O5 S2 |
| InChI: | InChI=1S/C27H22F2N4O5S2/c28-20-5-3-6-22(14-20)39(35,36)32-24(27-30-16-21(31-27)13-19-4-1-2-7-23(19)29)12-17-8-10-18(11-9-17)25-15-26(34)33-40(25,37)38/h1-11,14,24-25,32H,12-13,15H2,(H,33,34)/t24-,25-/m0/s1 |
| InChIKey: | VAXRFGMVKHOGJO-DQEYMECFSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F | | CACTVS 3.341 | Fc1cccc(c1)[S](=O)(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)N[S]3(=O)=O)C4=NC(=C=N4)Cc5ccccc5F | | OpenEye OEToolkits 1.5.0 | c1ccc(c(c1)CC2=C=NC(=N2)C(Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F | | CACTVS 3.341 | Fc1cccc(c1)[S](=O)(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)C4=NC(=C=N4)Cc5ccccc5F |
|
| Name: | 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide |
| ZINC: | ZINC000584905605 |
