| PDB CCD ID: | NCW |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H28 N2 O4 S |
| InChI: | InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15(22)17-10-9-21-14(17)13(20)12(19)11(10)18/h10-14,18-20H,2-9H2,1H3,(H,16,22)/t10-,11+,12-,13+,14+/m0/s1 |
| InChIKey: | LFSNQOFOMJLHIW-MEBFFEOJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@H](O)[C@@H](O)[C@@H]2O | | OpenEye OEToolkits 1.5.0 | CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O | | CACTVS 3.341 | CCCCCCCCNC(=S)N1[CH]2CO[CH]1[CH](O)[CH](O)[CH]2O | | OpenEye OEToolkits 1.5.0 | CCCCCCCCNC(=S)N1C2COC1C(C(C2O)O)O | | ACDLabs 10.04 | S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC |
|
| Name: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide |
| DrugBank: | DB08260 |
| ZINC: | ZINC000053683045 |
zhanggroup.org