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| Ligand ID | X8F |
| InChI | InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14-,15-,16-,17-,18+,19+/m0/s1 |
| InChIKey | RMJXELKXXMTVDO-UYYZUGKPSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CNC(=O)[CH](O)[CH](CC[CH](C)F)NC(=O)[CH]1[CH]2CCC[CH]2CN1C(=O)[CH](NC(=O)OC)C(C)(C)C | | CACTVS 3.385 | CNC(=O)[C@H](O)[C@H](CC[C@H](C)F)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC)C(C)(C)C | | OpenEye OEToolkits 2.0.7 | C[C@@H](CC[C@@H]([C@H](C(=O)NC)O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC)F | | OpenEye OEToolkits 2.0.7 | CC(CCC(C(C(=O)NC)O)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)OC)F | | ACDLabs 12.01 | CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C |
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| Formula | C24 H41 F N4 O6 |
| Name | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8upw Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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