H77
2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
Find entries where: H77
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
| Identifiers | 2-[(~{R})-[3-[[(~{E})-4-(dimethylamino)but-2-enoyl]amino]phenyl]-(2-piperidin-1-ylethoxy)methyl]thieno[3,2-b]pyridine-7-carboxylic acid |
| Formula | C28 H34 N4 O4 S |
| Molecular Weight | 522.659 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN(C)C/C=C/C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 |
| InChI | InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+/t26-/m1/s1 |
| InChIKey | KIIDGZQVWULCMZ-GYAHLDOBSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 71 |
| Chiral Atom Count | 1 |
| Bond Count | 74 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 134828063 |
