0OS
{3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
Find entries where: 0OS
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid |
| Identifiers | 2-[3-[(1S)-1-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpiperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| Formula | C31 H33 Cl2 N O9 S |
| Molecular Weight | 666.566 |
| Type | NON-POLYMER |
| Isomeric SMILES | COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl |
| InChI | InChI=1S/C31H33Cl2NO9S/c1-40-28-12-10-20(14-29(28)41-2)9-11-27(21-6-5-7-24(15-21)42-19-30(35)36)43-31(37)26-8-3-4-13-34(26)44(38,39)25-17-22(32)16-23(33)18-25/h5-7,10,12,14-18,26-27H,3-4,8-9,11,13,19H2,1-2H3,(H,35,36)/t26-,27-/m0/s1 |
| InChIKey | AOMAGJKZRYWVSR-SVBPBHIXSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 77 |
| Chiral Atom Count | 2 |
| Bond Count | 80 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137347879 |
