X77
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
Find entries where: X77
is present as a standalone ligand in 17 entries
Chemical Component Summary | |
|---|---|
| Name | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide |
| Identifiers | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide |
| Formula | C27 H33 N5 O2 |
| Molecular Weight | 459.583 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4 |
| InChI | InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m1/s1 |
| InChIKey | MUNFBYOTGGMQOS-XMMPIXPASA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 67 |
| Chiral Atom Count | 1 |
| Bond Count | 70 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 145998279 |
