| PDB CCD ID: | 6CU |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C21 H26 N2 |
| InChI: | InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h7-10,14,17,19,23H,6,11-12H2,1-4H3/t14-,17-,19+,21+/m0/s1 |
| InChIKey: | BWQHHWNHLMXCLS-QBGRRASTSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC[C]1(C)CC[CH]2[CH]([CH]1[N+]#[C-])c3c([nH]c4ccccc34)C2(C)C | | OpenEye OEToolkits 2.0.4 | CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C | | ACDLabs 12.01 | CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2)C4[N+]#[C-])C | | OpenEye OEToolkits 2.0.4 | CCC1(CCC2C(C1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C | | CACTVS 3.385 | CC[C@]1(C)CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c([nH]c4ccccc34)C2(C)C |
|
| Name: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole;
12-epi-fischerindole U |
| ZINC: | ZINC000584904679 |
zhanggroup.org