| General Property |
| Molceule ID (DB) | EGIN0002571 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | [(2R)-1-(tert-butoxy)-1-oxopropan-2-yl]amino (2R)-2-{[4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)phenyl]formamido}propanoate |
| Formula | C25H29N3O10S |
| Mass | 563.577 |
| Exact Mass | 563.1573649 |
| Composition | C (53.28%), H (5.19%), N (7.46%), O (28.39%), S (5.69%) |
| Atom Count | 68 |
| PI | 7.3 |
| Smiles | c1(C(=O)N[C@H](C)C(=O)ON[C@@H](C(=O)OC(C)(C)C)C)ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-] |
| InChI | 1S/C25H29N3O10S/c1-16(24(31)37-27-17(2)23(30)36-25(3,4)5)26-22(29)19-8-12-21(13-9-19)39(34,35)38-20-
10-6-18(7-11-20)14-15-28(32)33/h6-17,27H,1-5H3,(H,26,29)/b15-14+/t16-,17-/m1/s1 |
| InChIKey | LFNUEHYSKMJUOU-MHYRICRISA-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 | v-ab1 | PKC | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL312451 |
