H6J
N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
Find entries where: H6J
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine |
| Identifiers | 3-[[6-(4-ethenylsulfonyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-pyrimidin-4-yl]amino]propanoic acid |
| Formula | C19 H24 N6 O4 S |
| Molecular Weight | 432.497 |
| Type | NON-POLYMER |
| Isomeric SMILES | C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O |
| InChI | InChI=1S/C19H24N6O4S/c1-2-30(28,29)25-11-5-10-24(12-13-25)17-14-16(21-9-7-18(26)27)22-19(23-17)15-6-3-4-8-20-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,26,27)(H,21,22,23) |
| InChIKey | CPNWZGJHUIZVEZ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 0 |
| Bond Count | 56 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137349487 |
| ChEMBL | CHEMBL4294426 |
