| PDB CCD ID: | SKR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H37 N O5 |
| InChI: | InChI=1S/C23H37NO5/c1-12(10-24-14(3)25)17-8-19(26)23(4)9-18-15(11-29-5)6-7-16(18)13(2)21(27)22(28)20(17)23/h9,12-13,15-16,19,21-22,26-28H,6-8,10-11H2,1-5H3,(H,24,25)/b18-9-/t12-,13-,15-,16+,19+,21-,22-,23+/m1/s1 |
| InChIKey: | VGNIDQRGZSBUED-FXMNBVRKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COC[C@H]1CC[C@H]\2[C@@H](C)[C@@H](O)[C@H](O)C3=C(C[C@H](O)[C@]3(C)\C=C1\2)[C@H](C)CNC(C)=O | | OpenEye OEToolkits 2.0.7 | C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O)[C@H](C)CNC(=O)C)O)C)COC | | CACTVS 3.385 | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)[CH](C)CNC(C)=O | | OpenEye OEToolkits 2.0.7 | CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)CNC(=O)C)O)C)COC |
|
| Name: | ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide |
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