PDB CCD ID: | 3RK |
Number of entries in BioLiP: | 4 |
Chemical formula: | C6 H13 N O4 |
InChI: | InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1 |
InChIKey: | MRFFNLOQLBWKPJ-UNTFVMJOSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O | CACTVS 3.370 | O[CH]1CNC[CH](O)[CH](O)[CH]1O | ACDLabs 12.01 | OC1C(O)C(O)CNCC1O | OpenEye OEToolkits 1.7.0 | C1C(C(C(C(CN1)O)O)O)O | CACTVS 3.370 | O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O |
|
Name: | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol |
ChEMBL: | CHEMBL13922 |