2KF
(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
Find entries where: 2KF
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide |
| Identifiers | (2R)-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-propan-2-ylsulfonylphenyl)methyl]ethanamide |
| Formula | C32 H38 N4 O5 S |
| Molecular Weight | 590.733 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N |
| InChI | InChI=1S/C32H38N4O5S/c1-6-40-28-18-23(11-14-27(28)41-20(2)3)30(36-25-12-13-26-22(17-25)15-16-34-31(26)33)32(37)35-19-24-9-7-8-10-29(24)42(38,39)21(4)5/h7-18,20-21,30,36H,6,19H2,1-5H3,(H2,33,34)(H,35,37)/t30-/m1/s1 |
| InChIKey | QHJUWQXHNUKLAP-SSEXGKCCSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 80 |
| Chiral Atom Count | 1 |
| Bond Count | 83 |
| Aromatic Bond Count | 23 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 72551602 |
