EEJ
methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate
Find entries where: EEJ
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate |
| Identifiers | methyl ~{N}-[4-[3-chloranyl-6-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-[(3~{R})-1-ethanoylpiperidin-3-yl]ethyl]pyridazin-4-yl]phenyl]carbamate |
| Formula | C31 H31 Cl2 N9 O4 |
| Molecular Weight | 664.542 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl |
| InChI | InChI=1S/C31H31Cl2N9O4/c1-19(43)41-13-3-4-20(17-41)14-26(36-29(44)12-7-22-15-23(32)8-11-28(22)42-18-34-39-40-42)27-16-25(30(33)38-37-27)21-5-9-24(10-6-21)35-31(45)46-2/h5-12,15-16,18,20,26H,3-4,13-14,17H2,1-2H3,(H,35,45)(H,36,44)/b12-7+/t20-,26+/m1/s1 |
| InChIKey | QCCGVMDYTWPPFU-BONIYOLGSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 77 |
| Chiral Atom Count | 2 |
| Bond Count | 81 |
| Aromatic Bond Count | 23 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 132451804 |
