| PDB CCD ID: | A1EA7 |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C26 H34 N2 O6 |
| InChI: | InChI=1S/C26H34N2O6/c1-19(29)21-3-7-25(8-4-21)33-17-23(31)15-27-11-13-28(14-12-27)16-24(32)18-34-26-9-5-22(6-10-26)20(2)30/h3-10,23-24,31-32H,11-18H2,1-2H3/t23-,24+ |
| InChIKey: | OAJPQFYTCQEFGQ-PSWAGMNNSA-N |
| SMILES: | CC(=O)c1ccc(cc1)OCC(CN2CCN(CC2)CC(COc3ccc(cc3)C(=O)C)O)O; CC(=O)c1ccc(OC[C@H](O)CN2CCN(CC2)C[C@H](O)COc3ccc(cc3)C(C)=O)cc1; CC(=O)c1ccc(OC[CH](O)CN2CCN(CC2)C[CH](O)COc3ccc(cc3)C(C)=O)cc1; CC(=O)c1ccc(cc1)OC[C@@H](CN2CCN(CC2)C[C@@H](COc3ccc(cc3)C(=O)C)O)O |
| Name: | 1-[4-[(2~{R})-3-[4-[(2~{S})-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone |
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