J0W
(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID
Find entries where: J0W
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID |
| Identifiers | (E)-3-[4-[(1R)-1-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid |
| Formula | C23 H27 N O3 |
| Molecular Weight | 365.465 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O |
| InChI | InChI=1S/C23H27NO3/c1-16(2)15-24-13-12-18-14-20(25)9-10-21(18)23(24,3)19-7-4-17(5-8-19)6-11-22(26)27/h4-11,14,16,25H,12-13,15H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1 |
| InChIKey | WIYPHWOCUFWQTJ-ZWPAVUJESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 1 |
| Bond Count | 56 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3774494 |
| PubChem | 127034152 |
| ChEMBL | CHEMBL3774494 |
