| PDB CCD ID: | N0T |
| Number of entries in BioLiP: | 9 |
| Chemical formula: | C14 H29 N O4 |
| InChI: | InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1 |
| InChIKey: | UZTOTQLQFAGSAI-NDKCEZKHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCCCCNC1C(C(C(C1O)O)O)CO | | OpenEye OEToolkits 2.0.7 | CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO | | CACTVS 3.385 | CCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO | | CACTVS 3.385 | CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO |
|
| Name: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
zhanggroup.org