WA7

(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol


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Chemical Component Summary

Name(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol
Identifiers(1~{S},2~{S},3~{R},4~{S},5~{S})-5-[4-[(4-azido-2-nitro-phenyl)amino]butylamino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
FormulaC17 H26 N6 O7
Molecular Weight426.424
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O
InChIInChI=1S/C17H26N6O7/c18-22-21-10-3-4-11(13(7-10)23(29)30)19-5-1-2-6-20-12-8-17(28,9-24)16(27)15(26)14(12)25/h3-4,7,12,14-16,19-20,24-28H,1-2,5-6,8-9H2/t12-,14-,15+,16-,17-/m0/s1
InChIKeyXGHNPDUMSGEFTQ-RKOFLFEYSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count5
Bond Count57
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 156613453