XHA
2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide
Find entries where: XHA
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide |
| Identifiers | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide |
| Formula | C18 H25 F3 N2 O4 |
| Molecular Weight | 390.397 |
| Type | NON-POLYMER |
| Isomeric SMILES | CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O |
| InChI | InChI=1S/C18H25F3N2O4/c1-22-15(25)9-13-16(26)17(27)14(10-24)23(13)7-3-5-11-4-2-6-12(8-11)18(19,20)21/h2,4,6,8,13-14,16-17,24,26-27H,3,5,7,9-10H2,1H3,(H,22,25)/t13-,14-,16+,17-/m1/s1 |
| InChIKey | CCWQIKVWFWMBMG-TXCZRRACSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 52 |
| Chiral Atom Count | 4 |
| Bond Count | 53 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 124222733 |
