| PDB CCD ID: | A1A1J |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C26 H44 N2 O6 |
| InChI: | InChI=1S/C26H44N2O6/c1-14(2)11-16-9-10-33-24-17(12-16)13-27-20(24)26(32)28-19-15(3)7-5-4-6-8-18-21(29)22(30)23(31)25(19)34-18/h5,7,14-25,27,29-31H,4,6,8-13H2,1-3H3,(H,28,32)/b7-5-/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24-,25-/m1/s1 |
| InChIKey: | GTINHTWOKOOASZ-WRUZVUBKSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(CCCC=CC1C)C(O)C(O)C2O | | OpenEye OEToolkits 2.0.7 | CC1C=CCCCC2C(C(C(C(C1NC(=O)C3C4C(CC(CCO4)CC(C)C)CN3)O2)O)O)O | | CACTVS 3.385 | CC(C)C[C@@H]1CCO[C@@H]2[C@H](CN[C@@H]2C(=O)N[C@@H]3[C@H](C)\C=C/CCC[C@H]4O[C@H]3[C@H](O)[C@H](O)[C@H]4O)C1 | | OpenEye OEToolkits 2.0.7 | C[C@@H]1/C=C\CCC[C@@H]2[C@@H]([C@H]([C@H]([C@@H]([C@@H]1NC(=O)[C@@H]3[C@H]4[C@@H](C[C@@H](CCO4)CC(C)C)CN3)O2)O)O)O | | CACTVS 3.385 | CC(C)C[CH]1CCO[CH]2[CH](CN[CH]2C(=O)N[CH]3[CH](C)C=CCCC[CH]4O[CH]3[CH](O)[CH](O)[CH]4O)C1 |
|
| Name: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,2R,3R,4Z,9R,10R,11R,12R)-10,11,12-trihydroxy-3-methyl-13-oxabicyclo[7.3.1]tridec-4-en-2-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide |
