N21
Summary
| Name: | (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid |
| Formula: | C22 H20 N2 O9 S2 |
| Formal charge: | 0 |
| Formula weight: | 520.532 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CC[C@@H](N[S](=O)(=O)c1ccc(COc2ccc(cc2)\C=C3/SC(=O)NC3=O)cc1)C(O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)CC[CH](N[S](=O)(=O)c1ccc(COc2ccc(cc2)C=C3SC(=O)NC3=O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1COc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1COc2ccc(cc2)C=C3C(=O)NC(=O)S3)S(=O)(=O)NC(CCC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H20N2O9S2/c25-19(26)10-9-17(21(28)29)24-35(31,32)16-7-3-14(4-8-16)12-33-15-5-1-13(2-6-15)11-18-20(27)23-22(30)34-18/h1-8,11,17,24H,9-10,12H2,(H,25,26)(H,28,29)(H,23,27,30)/b18-11-/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | BZCXCLVFYJNKLW-LVSMMTLPSA-N |
