PDB CCD ID: | 3RI |
Number of entries in BioLiP: | 2 |
Chemical formula: | C8 H17 N O5 |
InChI: | InChI=1S/C8H17NO5/c10-2-1-9-3-5(11)7(13)8(14)6(12)4-9/h5-8,10-14H,1-4H2/t5-,6-,7+,8+/m0/s1 |
InChIKey: | VWGJHYNWDXVPIU-RULNZFCNSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O | CACTVS 3.370 | OCCN1C[CH](O)[CH](O)[CH](O)[CH](O)C1 | ACDLabs 12.01 | OC1CN(CCO)CC(O)C(O)C1O | CACTVS 3.370 | OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1 | OpenEye OEToolkits 1.7.0 | C1C(C(C(C(CN1CCO)O)O)O)O |
|
Name: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol |
ZINC: | ZINC000039039661 |