WT0

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



Chemical Component Summary

Name(2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Identifiers(2~{R},3~{R},4~{R},5~{S})-1-[[3-[[(3-bromanyl-5-methylsulfonyl-phenyl)amino]methyl]phenyl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
FormulaC21 H27 Br N2 O6 S
Molecular Weight515.418
TypeNON-POLYMER
Isomeric SMILESCS(=O)(=O)c1cc(cc(c1)Br)NCc2cccc(c2)CN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O
InChIInChI=1S/C21H27BrN2O6S/c1-31(29,30)17-7-15(22)6-16(8-17)23-9-13-3-2-4-14(5-13)10-24-11-19(26)21(28)20(27)18(24)12-25/h2-8,18-21,23,25-28H,9-12H2,1H3/t18-,19+,20-,21-/m1/s1
InChIKeyMEVZWRPYGMTMRS-PLACYPQZSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count4
Bond Count60
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 166625086