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| Ligand ID | SQ3 |
| InChI | InChI=1S/C23H29Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,12,14-15,19-20,29H,5-7,9-11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1 |
| InChIKey | GDZSJNGXWJGQFB-ZUHDPNGNSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)COc3ccc(cc3Cl)Cl)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C | | CACTVS 3.385 | CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@H](CO)C[C@@H]3CCNC3=O)C(=O)COc4ccc(Cl)cc4Cl | | OpenEye OEToolkits 2.0.7 | CC1(C2C1C(N(C2)C(=O)COc3ccc(cc3Cl)Cl)C(=O)NC(CC4CCNC4=O)CO)C | | ACDLabs 12.01 | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(Cl)cc1Cl | | CACTVS 3.385 | CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)COc4ccc(Cl)cc4Cl |
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| Formula | C23 H29 Cl2 N3 O5 |
| Name | (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ty5 Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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