A1H8X
Summary
| Name: | 4-fluoranyl-~{N}-[(2~{S})-1-[[4-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide |
| Synonyms: | NK036 USP30 inhibitor |
| Formula: | C26 H28 F N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 513.581 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-fluoranyl-~{N}-[(2~{S})-1-[[4-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H28FN3O5S/c1-26(2,17-31)30-36(34,35)22-14-12-21(13-15-22)28-25(33)23(16-18-6-4-3-5-7-18)29-24(32)19-8-10-20(27)11-9-19/h3-15,23,30-31H,16-17H2,1-2H3,(H,28,33)(H,29,32) |
| InChIKey | InChI | 1.06 | FEWSFPBWIPYPHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CO)N[S](=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c3ccc(F)cc3)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)(CO)N[S](=O)(=O)c1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)c3ccc(F)cc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CO)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CO)NS(=O)(=O)c1ccc(cc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccc(cc3)F |
