| PDB CCD ID: | Y3H |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H22 O5 |
| InChI: | InChI=1S/C16H22O5/c1-6-9-20-14(19)16(5)8-7-12(17)11(10-16)13(18)21-15(2,3)4/h1,11H,7-10H2,2-5H3/t11-,16-/m0/s1 |
| InChIKey: | VWWMPCGCVQSEOW-ZBEGNZNMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@@]1(CCC(=O)[C@H](C1)C(=O)OC(C)(C)C)C(=O)OCC#C | | OpenEye OEToolkits 2.0.7 | CC1(CCC(=O)C(C1)C(=O)OC(C)(C)C)C(=O)OCC#C | | CACTVS 3.385 | CC(C)(C)OC(=O)[CH]1C[C](C)(CCC1=O)C(=O)OCC#C | | CACTVS 3.385 | CC(C)(C)OC(=O)[C@H]1C[C@](C)(CCC1=O)C(=O)OCC#C |
|
| Name: | ~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
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