PDB CCD ID: | M1C |
Number of entries in BioLiP: | 1 |
Chemical formula: | C10 H22 N2 O2 |
InChI: | InChI=1S/C10H22N2O2/c1-2-3-4-9(11)10(13,14)7-12-8-5-6-8/h8-9,12-14H,2-7,11H2,1H3/t9-/m0/s1 |
InChIKey: | AYBDGNNJGBFOBQ-VIFPVBQESA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CCCCC(C(CNC1CC1)(O)O)N | CACTVS 3.341 | CCCC[CH](N)C(O)(O)CNC1CC1 | CACTVS 3.341 | CCCC[C@H](N)C(O)(O)CNC1CC1 | ACDLabs 10.04 | OC(O)(C(N)CCCC)CNC1CC1 | OpenEye OEToolkits 1.5.0 | CCCC[C@@H](C(CNC1CC1)(O)O)N |
|
Name: | (3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEPTANE-2,2-DIOL |
DrugBank: | DB02408 |
ZINC: | ZINC000006379527 |