| General Property |
| Molceule ID (DB) | EGIN0002572 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | (2R)-2-({[(2R)-2-{[4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)phenyl]formamido}propanoyl]oxy}amino)propanoic acid |
| Formula | C21H21N3O10S |
| Mass | 507.471 |
| Exact Mass | 507.0947646 |
| Composition | C (49.7%), H (4.17%), N (8.28%), O (31.53%), S (6.32%) |
| Atom Count | 56 |
| PI | 2.67 |
| Smiles | c1(C(=O)N[C@H](C)C(=O)ON[C@@H](C(=O)O)C)ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-] |
| InChI | 1S/C21H21N3O10S/c1-13(20(26)27)23-33-21(28)14(2)22-19(25)16-5-9-18(10-6-16)35(31,32)34-17-7-3-15(4-8
-17)11-12-24(29)30/h3-14,23H,1-2H3,(H,22,25)(H,26,27)/b12-11+/t13-,14-/m1/s1 |
| InChIKey | VPRHYKWZRVRZHE-MRUDHYOASA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 1652014 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKC | v-ab1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL311133 |
