Z96
tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate
Find entries where: Z96
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate |
| Formula | C28 H32 Cl N5 O3 |
| Molecular Weight | 522.038 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl |
| InChI | InChI=1S/C28H32ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25-26,35H,10-13H2,1-4H3/t25-,26+/m0/s1 |
| InChIKey | YZFYPECRJZGSGJ-IZZNHLLZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 69 |
| Chiral Atom Count | 2 |
| Bond Count | 73 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 44593866 |
| ChEMBL | CHEMBL601202 |
