| PDB CCD ID: | 2SK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H19 N O3 S |
| InChI: | InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1 |
| InChIKey: | CHTYSDQNKZIWBZ-ZOLYEBIHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CS[CH]1[CH](O)[CH](O)[CH](O)[CH]1NCc2ccccc2 | | OpenEye OEToolkits 1.5.0 | CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2 | | OpenEye OEToolkits 1.5.0 | CSC1C(C(C(C1O)O)O)NCc2ccccc2 | | ACDLabs 10.04 | OC2C(O)C(NCc1ccccc1)C(SC)C2O | | CACTVS 3.341 | CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc2ccccc2 |
|
| Name: | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL |
| DrugBank: | DB06984 |
| ZINC: | ZINC000038191910 |
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