| PDB CCD ID: | 2UO |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H34 O5 |
| InChI: | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 |
| InChIKey: | AJLFOPYRIVGYMJ-INTXDZFKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O | | CACTVS 3.385 | CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 | | OpenEye OEToolkits 2.0.6 | CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O | | CACTVS 3.385 | CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12 |
|
| Name: | Mevastatin, Compactin;
(1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen- 1-yl (2S)-2-methylbutanoate |
| ChEMBL: | CHEMBL54440 |
| DrugBank: | DB06693 |
| ZINC: | ZINC000003833876 |
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