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Substance Name: VRA-GlcNAc
RN: 125261-87-2
InChIKey: CEKMVWASOJLIAG-IYMWRXDZSA-N

Note

  • Substrate for N-acetyl-beta-D-glucosaminidase applied to assay of this enzyme in urine.

Molecular Formula

  • C21-H34-N2-O10-S2.H3-N

Molecular Weight

  • 545.587
 
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Names and Synonyms

Results Name

  • VRA-GlcNAc

Name of Substance

  • 5-(4-(2-Acetamido-2-deoxyglucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate

Synonyms

  • 5-((4-((2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-3-methoxyphenyl)methylene)-4-oxo-2-thioxo-3-thiazolidineacetic acid monoammonium salt
  • 5-(4-(2-Acetamido-2-deoxy-beta-D-glucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate ammonium salt
  • VRA-GlcNAc

Systematic Name

  • 3-Thiazolidineacetic acid, 5-((4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-3-methoxyphenyl)methylene)-4-oxo-2-thioxo-, monoammonium salt

Registry Numbers

CAS Registry Number

  • 125261-87-2

System Generated Number

  • 0125261872

Molecular Formulas

Molecular Formula

  • C21-H34-N2-O10-S2.H3-N

Molecular Formula Fragments

  • C21-H34-N2-O10-S2
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C21H24N2O10S2.H3N/c1-9(25)22-16-18(29)17(28)13(8-24)33-20(16)32-11-4-3-10(5-12(11)31-2)6-14-19(30)23(7-15(26)27)21(34)35-14;/h3-6,13,16-18,20,24,28-29H,7-8H2,1-2H3,(H,22,25)(H,26,27);1H3/b14-6+;/t13-,16-,17-,18-,20-;/m1./s1

InChIKey

CEKMVWASOJLIAG-IYMWRXDZSA-N

Smiles

[NH4+].S1C(N(C(\C1=C/c1cc(c(cc1)O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)C)OC)=O)CC(=O)[O-])=S