T04
Summary
| Name: | 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid |
| Formula: | C23 H20 F N3 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 517.55 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CC[C@@H](NC(=O)c1cc(CNc2ccc(cc2)\C=C3/SC(=S)NC3=O)ccc1F)C(O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)CC[CH](NC(=O)c1cc(CNc2ccc(cc2)C=C3SC(=S)NC3=O)ccc1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1\C=C/2\C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1C=C2C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C23H20FN3O6S2/c24-16-6-3-13(9-15(16)20(30)26-17(22(32)33)7-8-19(28)29)11-25-14-4-1-12(2-5-14)10-18-21(31)27-23(34)35-18/h1-6,9-10,17,25H,7-8,11H2,(H,26,30)(H,28,29)(H,32,33)(H,27,31,34)/b18-10-/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | NEGUDZMAJDITEM-RMFUMNGISA-N |
