<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-22 13:11:24 UTC</creation_date>
  <update_date>2026-09-22 13:12:16 UTC</update_date>
  <accession>FDB118294</accession>
  <name>(2S,3R)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-4-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid</name>
  <description/>
  <synonyms>
    <synonym>(2S,3R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid</synonym>
  </synonyms>
  <chemical_formula>C15H21N4O5S+</chemical_formula>
  <average_molecular_weight>369.4</average_molecular_weight>
  <monisotopic_moleculate_weight>369.12326596</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC1C(NC(=C1SC2CN3C=NC=[N+]3C2)C(=O)O)C(C(C)O)C(=O)O</smiles>
  <inchi>InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,17,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,11-/m1/s1</inchi>
  <inchikey>NNMZLHRXLIBHJJ-YJFSRANCSA-O</inchikey>
  <taxonomy>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>average_mass</kind>
    <value>369.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>369.12326596</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CC1C(NC(=C1SC2CN3C=NC=[N+]3C2)C(=O)O)C(C(C)O)C(=O)O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C15H21N4O5S+</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,17,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,11-/m1/s1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>NNMZLHRXLIBHJJ-YJFSRANCSA-O</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
