126075 <common-name>2-(Glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid</common-name> <description>2-(Glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 500.50 g/mol, 2-(Glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid is a heavy molecule. Its chemical formula is C19H24N4O10S. This compound is found in or released from 13 recorded sources. Within the Electrical & Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in textiles, leather & furnishings, specifically in carpets, rugs, and synthetic textiles. Other sources include food packaging from the food, food processing & cookware sector, as well as medical devices from the healthcare, pharmaceuticals & veterinary products sector. Additionally, the compound is identified in lubricants used in energy, oil & gas, as well as industrial manufacturing & chemical processing, and one further sector. Recorded exposure routes for this substance include inhalation, oral, and touch.</description> <cas nil="true"/> <pubchem-id>129847590</pubchem-id> <chemical-formula>C19H24N4O10S</chemical-formula> <weight>500.5</weight> <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">2026-04-06T09:42:53Z</created-at> <updated-at type="dateTime">2026-08-29T17:17:56Z</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>C1=CC(=CC=C1CC(C(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C19H24N4O10S</moldb-formula> <moldb-inchi>InChI=1S/C19H24N4O10S/c20-12(18(28)29)5-6-15(24)22-13(17(27)21-8-16(25)26)9-34-14(19(30)31)7-10-1-3-11(4-2-10)23(32)33/h1-4,12-14H,5-9,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)(H,30,31)/t12-,13-,14?/m0/s1</moldb-inchi> <moldb-inchikey>TUKINTUYICBBAJ-RFHHWMCGSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">500.1213142</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.7</logp> <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>CHEM121968</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00117158</susdat-id> <iupac>(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[1-carboxy-2-(4-nitrophenyl)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid</iupac> <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">2</paper-count> <sync-id>CED0053091</sync-id> <structure-inchikey>TUKINTUYICBBAJ-RFHHWMCGSA-N</structure-inchikey> <structure-fingerprint>40000000004000000001800000000c00200000000004000004000000000000000000000000000200000010000000000006000000000000100000000000000000000000000000000400000000000000210020000000000000001000009000400040002000010000000200004000100001080000000000000000000000000000000000000000000000040000000000000080001000005000040000000000000020000000100000000000000000080000000000100080000000000000000000000000000008010000000001000000000000000000000000400000400220000000010000420000000840000040000000000400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���"���€��@h�������@h�������@(������@h�������@h�������@(�������`�������`�������(�������(�������h�������� ������`������ 4��������(�������(�������h��������`�������(�������(�������h��������h��������(�������(�������`�������`������ 4��������(�������(�������h��������`������ *��������(������ *���ÿ�����h���h���h���h���h����������� (�� ������� � ����(��� ��������(��� ���� ��(���������������(��� ����� � (��! ��h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:47:42Z</structure-indexed-at> </compound>