301142 <common-name>(2s,5r,6r)-6-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid</common-name> <description>(2s,5r,6r)-6-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C16H16Cl2N2O5S and an average molecular weight of 419.30 g/mol.</description> <cas nil="true"/> <pubchem-id>203882</pubchem-id> <chemical-formula>C16H16Cl2N2O5S</chemical-formula> <weight>419.3</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">2026-08-28T18:06:04Z</created-at> <updated-at type="dateTime">2026-08-28T18:06:04Z</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>CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C</moldb-smiles> <moldb-formula>C16H16Cl2N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C16H16Cl2N2O5S/c1-16(2)12(15(23)24)20-13(22)11(14(20)26-16)19-10(21)6-25-7-3-4-8(17)9(18)5-7/h3-5,11-12,14H,6H2,1-2H3,(H,19,21)(H,23,24)/t11-,12+,14-/m1/s1</moldb-inchi> <moldb-inchikey>JNQCBLQCDPIDAG-MBNYWOFBSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">418.0156982</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM297035</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>(2s,5r,6r)-6-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic 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>CED0252393</sync-id> <structure-inchikey>JNQCBLQCDPIDAG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000040000000008000000000002000000000000000800000000040000000000000000000202000000000220000140000000000000000000000000000000000000000004000000000000000000000200020500001400002000000004000000000000100000000000000001000000000000001000000000000000000001000000000480000040000000000000006800000000000040000000000000000210000000000000000000000000800002000000100000a0000000000040000000000002000000000000000000010000000000010000000000000000200000000000000000000400000000040010000000400004100000000000000080000000000</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�B��������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:57Z</structure-indexed-at> </compound>