2DV
[5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid
Find entries where: 2DV
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid |
| Identifiers | 2-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoyl]indol-1-yl]ethanoic acid |
| Formula | C20 H17 F3 N2 O6 S |
| Molecular Weight | 470.419 |
| Type | NON-POLYMER |
| Isomeric SMILES | COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F |
| InChI | InChI=1S/C20H17F3N2O6S/c1-31-15-6-7-16-13(8-15)9-17(25(16)10-18(26)27)19(28)24-32(29,30)11-12-2-4-14(5-3-12)20(21,22)23/h2-9H,10-11H2,1H3,(H,24,28)(H,26,27) |
| InChIKey | BCONJIVPNWPJDO-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 49 |
| Chiral Atom Count | 0 |
| Bond Count | 51 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 77003891 |
| ChEMBL | CHEMBL3818314 |
