PDB CCD ID: | 04D |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H21 N O2 |
InChI: | InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9-/m1/s1 |
InChIKey: | GUNDRKRTYHTHOS-HRDYMLBCSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CC(C)CC(C(C(C)CO)O)N | CACTVS 3.370 | CC(C)C[CH](N)[CH](O)[CH](C)CO | CACTVS 3.370 | CC(C)C[C@H](N)[C@H](O)[C@H](C)CO | OpenEye OEToolkits 1.7.6 | C[C@H](CO)[C@H]([C@H](CC(C)C)N)O | ACDLabs 12.01 | OCC(C(O)C(N)CC(C)C)C |
|
Name: | (2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol |
ZINC: | ZINC000098207760 |