QKK
Summary
| Name: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid |
| Formula: | C12 H11 F2 N7 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 435.386 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11F2N7O5S2/c13-5-1-4(2-6(14)7(5)18-12(24)20-19-11(15)16)28(25,26)21-9-8(10(22)23)17-3-27-9/h1-3,21H,(H,22,23)(H4,15,16,19)(H2,18,20,24) |
| InChIKey | InChI | 1.03 | MDBJDQPFGYPCRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NNC(=O)Nc1c(F)cc(cc1F)[S](=O)(=O)Nc2scnc2C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NNC(=O)Nc1c(F)cc(cc1F)[S](=O)(=O)Nc2scnc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)NC(=O)NNC(=N)N)F)S(=O)(=O)Nc2c(ncs2)C(=O)O |
