| PDB CCD ID: | OGK |
| Number of entries in BioLiP: | 16 |
| Chemical formula: | C18 H27 N O4 |
| InChI: | InChI=1S/C18H27NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h10-14H,3-9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,14+,18+/m1/s1 |
| InChIKey: | YYTFHRRGIDEJIS-FNEQEMTHSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC23 | | OpenEye OEToolkits 1.7.0 | CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O | | CACTVS 3.370 | CC[CH]1C[CH]2[CH](CCC2=O)[CH](C1)C(=O)N[C]3(C[CH]3CC)C(O)=O | | CACTVS 3.370 | CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(O)=O | | OpenEye OEToolkits 1.7.0 | CCC1CC2C(CCC2=O)C(C1)C(=O)NC3(CC3CC)C(=O)O |
|
| Name: | (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid;
Coronatine |
| ZINC: | ZINC000058638469 |
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