| PDB CCD ID: | OPX |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C12 H23 N O5 S |
| InChI: | InChI=1S/C12H23NO5S/c14-10-6-12(7-11(10)15,19(16,17)18)8-13-9-4-2-1-3-5-9/h9-11,13-15H,1-8H2,(H,16,17,18)/t10-,11+,12- |
| InChIKey: | RMLVAYWMDDDXFB-ZSBIGDGJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | O[C@@H]1C[C@](CNC2CCCCC2)(C[C@@H]1O)[S](O)(=O)=O | | OpenEye OEToolkits 1.7.6 | C1CCC(CC1)NCC2(CC(C(C2)O)O)S(=O)(=O)O | | OpenEye OEToolkits 1.7.6 | C1CCC(CC1)NCC2(C[C@H]([C@H](C2)O)O)S(=O)(=O)O | | CACTVS 3.370 | O[CH]1C[C](CNC2CCCCC2)(C[CH]1O)[S](O)(=O)=O | | ACDLabs 12.01 | O=S(=O)(O)C1(CC(O)C(O)C1)CNC2CCCCC2 |
|
| Name: | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid |
| ZINC: | ZINC000263620979 |
umich.edu