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| Ligand ID | SJF |
| InChI | InChI=1S/C23H29Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-15,17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17-,21-/m0/s1 |
| InChIKey | DSVCEMXKUZHNPU-ICWLNENESA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OC[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3CCC[CH]3CN2C(=O)COc4ccc(Cl)c(Cl)c4 | | ACDLabs 12.01 | O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)c(Cl)c1 | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1OCC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCNC4=O)CO)Cl)Cl | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)Cl)Cl | | CACTVS 3.385 | OC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)COc4ccc(Cl)c(Cl)c4 |
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| Formula | C23 H29 Cl2 N3 O5 |
| Name | (1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ty3 Chain A Residue 401
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