N04
Summary
| Name: | (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid |
| Formula: | C23 H20 N2 O8 S |
| Formal charge: | 0 |
| Formula weight: | 484.479 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CC[C@@H](NC(=O)c1cccc(COc2cccc(c2)\C=C3/SC(=O)NC3=O)c1)C(O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)CC[CH](NC(=O)c1cccc(COc2cccc(c2)C=C3SC(=O)NC3=O)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)\C=C/3\C(=O)NC(=O)S3 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)C(=O)NC(CCC(=O)O)C(=O)O)COc2cccc(c2)C=C3C(=O)NC(=O)S3 |
| InChI | InChI | 1.03 | InChI=1S/C23H20N2O8S/c26-19(27)8-7-17(22(30)31)24-20(28)15-5-1-4-14(9-15)12-33-16-6-2-3-13(10-16)11-18-21(29)25-23(32)34-18/h1-6,9-11,17H,7-8,12H2,(H,24,28)(H,26,27)(H,30,31)(H,25,29,32)/b18-11-/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | LTRBYYDVMAAOIG-LVSMMTLPSA-N |
