2I7

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol



Chemical Component Summary

Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol
Identifiers(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-[[3-[[(3-methyl-5-pyrimidin-2-yl-phenyl)amino]methyl]phenyl]methyl]piperidine-3,4,5-triol
FormulaC25 H30 N4 O4
Molecular Weight450.53
TypeNON-POLYMER
Isomeric SMILESCc1cc(cc(c1)NCc2cccc(c2)CN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O)c4ncccn4
InChIInChI=1S/C25H30N4O4/c1-16-8-19(25-26-6-3-7-27-25)11-20(9-16)28-12-17-4-2-5-18(10-17)13-29-14-22(31)24(33)23(32)21(29)15-30/h2-11,21-24,28,30-33H,12-15H2,1H3/t21-,22+,23-,24-/m1/s1
InChIKeyMCCXVNXVINRCAD-UEQSERJNSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count4
Bond Count66
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 164513425