<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">97287</id>
  <title nil="true"/>
  <common-name>[R-(R*,R*)]-3,3'-dithiobis[2-amino-N-(4-nitrophenyl)propionamide]</common-name>
  <description>[R-(R*,R*)]-3,3'-dithiobis[2-amino-N-(4-nitrophenyl)propionamide] belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the formula C18H20N6O6S2 and an average molecular weight of 480.51 g/mol.</description>
  <cas>34199-07-0</cas>
  <pubchem-id>118139</pubchem-id>
  <chemical-formula>C18H20N6O6S2</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T05:12:21Z</created-at>
  <updated-at type="dateTime">2026-04-05T05:12:21Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>NC(CSSCC(N)C(=O)NC1=CC=C(C=C1)N(=O)=O)C(=O)NC1=CC=C(C=C1)N(=O)=O</moldb-smiles>
  <moldb-formula>C18H20N6O6S2</moldb-formula>
  <moldb-inchi>InChI=1/C18H20N6O6S2/c19-15(17(25)21-11-1-5-13(6-2-11)23(27)28)9-31-32-10-16(20)18(26)22-12-3-7-14(8-4-12)24(29)30/h1-8,15-16H,9-10,19-20H2,(H,21,25)(H,22,26)</moldb-inchi>
  <moldb-inchikey>UDNQCHDHUMEZRM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">480.51</moldb-average-mass>
  <moldb-mono-mass type="decimal">480.0885744</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM093180</chemdb-id>
  <dsstox-id>DTXSID40955742</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00059581</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0074823</sync-id>
  <structure-inchikey>UDNQCHDHUMEZRM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000800000000000040000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000020000000000000001000000000400040002000010000000210000000000000000000000000000000000000000000008000000000000400040000000000000080001000001000000000000000000020000000000000000000000200080000000000000000000000000000000000000010000000000000000000000000000000800000000000000000000200000000000000428000000040000040000000000400000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ���������������� ���!���€���`�������`�������`������� ������ ������`�������`�������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������*��������*���ÿ����(�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������*��������*���ÿ����(�������������������������������	(��
 
� ��h��h��h���h���h��� �� ��(������(��� �� ��h���h���h���h���h��� �� ��(���h���h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:37:30Z</structure-indexed-at>
</compound>
