| PDB CCD ID: | W95 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H24 O4 |
| InChI: | InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1 |
| InChIKey: | ZJAOAVRRNBJCLX-QNWJLWSRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1CCC(C(C1)OC(=O)C2CC2C(=O)O)C(C)C | | ACDLabs 12.01 | O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O | | OpenEye OEToolkits 2.0.7 | C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2C[C@@H]2C(=O)O)C(C)C | | CACTVS 3.385 | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]2C[C@@H]2C(O)=O | | CACTVS 3.385 | CC(C)[CH]1CC[CH](C)C[CH]1OC(=O)[CH]2C[CH]2C(O)=O |
|
| Name: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid |
| ZINC: | ZINC000095079889 |
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