U54

(1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol


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Chemical Component Summary

Name(1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol
Identifiers(1~{S},2~{R},3~{R},4~{R},5~{R})-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol
FormulaC21 H41 N5 O4
Molecular Weight427.581
TypeNON-POLYMER
Isomeric SMILESc1c(nnn1CCCCCCCCN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)CCCCN
InChIInChI=1S/C21H41N5O4/c22-10-6-5-9-16-14-26(25-24-16)12-8-4-2-1-3-7-11-23-18-13-19(28)21(30)20(29)17(18)15-27/h14,17-21,23,27-30H,1-13,15,22H2/t17-,18+,19-,20+,21+/m0/s1
InChIKeyIZNFXKUUDPEZNL-QGLKVJOYSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count5
Bond Count72
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 168477828