292283 <common-name>2-[[(1r)-1-acetamido-1-carboxy-2-methylpropan-2-yl]disulfanyl]benzoic acid</common-name> <description>2-[[(1r)-1-acetamido-1-carboxy-2-methylpropan-2-yl]disulfanyl]benzoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C14H17NO5S2 and an average molecular weight of 343.40 g/mol.</description> <cas>26885-64-3</cas> <pubchem-id>213698</pubchem-id> <chemical-formula>C14H17NO5S2</chemical-formula> <weight>343.4</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">2026-08-28T07:34:43Z</created-at> <updated-at type="dateTime">2026-08-28T07:34:43Z</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>CC(=O)NC(C(=O)O)C(C)(C)SSC1=CC=CC=C1C(=O)O</moldb-smiles> <moldb-formula>C14H17NO5S2</moldb-formula> <moldb-inchi>InChI=1S/C14H17NO5S2/c1-8(16)15-11(13(19)20)14(2,3)22-21-10-7-5-4-6-9(10)12(17)18/h4-7,11H,1-3H3,(H,15,16)(H,17,18)(H,19,20)/t11-/m1/s1</moldb-inchi> <moldb-inchikey>HGUGGLQXBRPLNG-LLVKDONJSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">343.054815</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</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>CHEM288176</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[[(1r)-1-acetamido-1-carboxy-2-methylpropan-2-yl]disulfanyl]benzoic 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" nil="true"/> <sync-id>CED0243846</sync-id> <structure-inchikey>HGUGGLQXBRPLNG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000102c00000000000000000000000000000004000000000000000000000002000000004004800000000800000080000000000000000000000400000000000000080000000020000000000000000000000000000000000000810000000000020000000000000000000000000000000000000000404000010040000000800000000000000080000000000100000000000000004800000000000000000000000000080000000000000001000000000000001000000000000000400000000000000000000000000000000000000000000200000000000000000000000800008040000000000400000000000000000100000000008000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������h��������`�������(�������(�������h�������� ������`�������`������� ������ �����@(������@h�������@h�������@h�������@h�������@(�������(�������(�������h������������(��� ��������(��� ���� �� �������� � �h���h���h���h���h��� ��(��� � h�B����� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:28Z</structure-indexed-at> </compound>