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| Ligand ID | W1L |
| InChI | InChI=1S/C28H32Cl2N4O4/c1-28(2)22-14-33(24(23(22)28)26(37)32-19(15-35)13-16-11-12-31-25(16)36)27(38)34(20-7-3-17(29)4-8-20)21-9-5-18(30)6-10-21/h3-10,16,19,22-24,35H,11-15H2,1-2H3,(H,31,36)(H,32,37)/t16-,19-,22-,23-,24-/m0/s1 |
| InChIKey | RJGDIXDMKZVPNX-MUTMVCIVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CC1(C2C1C(N(C2)C(=O)N(c3ccc(cc3)Cl)c4ccc(cc4)Cl)C(=O)NC(CC5CCNC5=O)CO)C | | CACTVS 3.385 | CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)N(c4ccc(Cl)cc4)c5ccc(Cl)cc5 | | 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)N(c4ccc(Cl)cc4)c5ccc(Cl)cc5 | | OpenEye OEToolkits 2.0.7 | CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)N(c3ccc(cc3)Cl)c4ccc(cc4)Cl)C(=O)N[C@@H](C[C@@H]5CCNC5=O)CO)C | | ACDLabs 12.01 | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
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| Formula | C28 H32 Cl2 N4 O4 |
| Name | (1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8u9t Chain A Residue 401
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