AEZ

(4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol

Created:2017-08-18
Last modified:  2018-04-11

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count4
Bond Count27
Aromatic Bond Count5
2D diagram of AEZ

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Chemical Component Summary

Name(4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol
Systematic Name (OpenEye OEToolkits)(4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol
FormulaC8 H12 N2 O4
Molecular Weight200.192
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OC[CH]1[CH](O)[CH](O)[CH](O)c2nc[nH]c12
SMILESOpenEye OEToolkits2.0.6c1[nH]c2c(n1)C(C(C(C2CO)O)O)O
Canonical SMILESCACTVS3.385 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc[nH]c12
Canonical SMILESOpenEye OEToolkits2.0.6 c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
InChIInChI1.03 InChI=1S/C8H12N2O4/c11-1-3-4-5(10-2-9-4)7(13)8(14)6(3)12/h2-3,6-8,11-14H,1H2,(H,9,10)/t3-,6+,7-,8-/m0/s1
InChIKeyInChI1.03 MTUBISADCTVQLI-FBXHKNTESA-N

Related Resource References

Resource NameReference
PubChem 137348919