| General Property |
| Molceule ID (DB) | EGIN0002573 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | [(2R)-1-{[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]oxy}-1-oxopropan-2-yl]amino (2R)-2-{[4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)phenyl]formamido}propanoate |
| Formula | C28H35N5O12S |
| Mass | 665.669 |
| Exact Mass | 665.2002923 |
| Composition | C (50.52%), H (5.3%), N (10.52%), O (28.84%), S (4.82%) |
| Atom Count | 81 |
| PI | 8.72 |
| Smiles | c1(C(=O)N[C@H](C)C(=O)ON[C@@H](C(=O)ONCCNC(=O)OC(C)(C)C)C)ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-] |
| InChI | 1S/C28H35N5O12S/c1-18(25(35)44-32-19(2)26(36)43-30-16-15-29-27(37)42-28(3,4)5)31-24(34)21-8-12-23(13
-9-21)46(40,41)45-22-10-6-20(7-11-22)14-17-33(38)39/h6-14,17-19,30,32H,15-16H2,1-5H3,(H,29,37)(H,31,
34)/b17-14+/t18-,19-/m1/s1 |
| InChIKey | SYQIXFUYKSTPNI-BOVXVXHCSA-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 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL309073 |
