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| Ligand ID | VZB |
| InChI | InChI=1S/C23H37N3O5/c1-23(2)17-11-26(18(28)13-31-16-6-4-3-5-7-16)20(19(17)23)22(30)25-15(12-27)10-14-8-9-24-21(14)29/h14-17,19-20,27H,3-13H2,1-2H3,(H,24,29)(H,25,30)/t14-,15+,17-,19-,20-/m0/s1 |
| InChIKey | ZRLOCCWLJNUDPY-SSGANFLRSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC1(C)[CH]2CN([CH]([CH]12)C(=O)N[CH](CO)C[CH]3CCNC3=O)C(=O)COC4CCCCC4 | | OpenEye OEToolkits 2.0.7 | CC1(C2C1C(N(C2)C(=O)COC3CCCCC3)C(=O)NC(CC4CCNC4=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)COC4CCCCC4 | | ACDLabs 12.01 | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COC1CCCCC1 | | OpenEye OEToolkits 2.0.7 | CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)COC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C |
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| Formula | C23 H37 N3 O5 |
| Name | (1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;
MPI64 |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8u9h Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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