DKJ

N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide


Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide
Identifiers~{N}-[(1~{S},2~{S})-3-[3,5-bis(fluoranyl)phenyl]-1-[(3~{R},5~{S},6~{R})-6-(2,2-dimethylpropoxy)-5-methyl-morpholin-3-yl]-1-oxidanyl-propan-2-yl]ethanamide
FormulaC21 H32 F2 N2 O4
Molecular Weight414.487
TypeNON-POLYMER
Isomeric SMILESC[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C
InChIInChI=1S/C21H32F2N2O4/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26)/t12-,17-,18+,19-,20-/m0/s1
InChIKeyMTSIVXGKWLWPKB-VVEMMYRFSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count5
Bond Count62
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 11669599
ChEMBL CHEMBL4116547