| PDB CCD ID: | HL9 |
| Number of entries in BioLiP: | 15 |
| Chemical formula: | C20 H29 N5 O2 S |
| InChI: | InChI=1S/C20H29N5O2S/c26-18(4-2-1-3-17-19-16(13-28-17)23-20(27)24-19)22-14-7-11-25(12-8-14)15-5-9-21-10-6-15/h5-6,9-10,14,16-17,19H,1-4,7-8,11-13H2,(H,22,26)(H2,23,24,27)/t16-,17-,19-/m0/s1 |
| InChIKey: | GEHXEZPHNHPYOB-LNLFQRSKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC3CCN(CC3)c4ccncc4 | | OpenEye OEToolkits 2.0.7 | c1cnccc1N2CCC(CC2)NC(=O)CCCCC3C4C(CS3)NC(=O)N4 | | CACTVS 3.385 | O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC3CCN(CC3)c4ccncc4 | | OpenEye OEToolkits 2.0.7 | c1cnccc1N2CCC(CC2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 |
|
| Name: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide |
zhanggroup.org