<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-21 16:40:41 UTC</creation_date>
  <update_date>2026-09-21 16:41:12 UTC</update_date>
  <accession>FDB116749</accession>
  <name>|A-Amylase from Bacillus subtilis</name>
  <description/>
  <synonyms>
    <synonym>1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one</synonym>
  </synonyms>
  <chemical_formula>C15H17N3OS2</chemical_formula>
  <average_molecular_weight>319.4</average_molecular_weight>
  <monisotopic_moleculate_weight>319.08130452</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC1=NN=C(S1)SC(C)C(=O)N2CCC3=CC=CC=C3C2</smiles>
  <inchi>InChI=1S/C15H17N3OS2/c1-10(20-15-17-16-11(2)21-15)14(19)18-8-7-12-5-3-4-6-13(12)9-18/h3-6,10H,7-9H2,1-2H3</inchi>
  <inchikey>AYCAGNGVCDDKNU-UHFFFAOYSA-N</inchikey>
  <taxonomy>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>average_mass</kind>
    <value>319.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>319.08130452</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CC1=NN=C(S1)SC(C)C(=O)N2CCC3=CC=CC=C3C2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C15H17N3OS2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C15H17N3OS2/c1-10(20-15-17-16-11(2)21-15)14(19)18-8-7-12-5-3-4-6-13(12)9-18/h3-6,10H,7-9H2,1-2H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>AYCAGNGVCDDKNU-UHFFFAOYSA-N</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>
