333056 <common-name>2-[[[3-(diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>215224</pubchem-id> <chemical-formula>C22H30I3N3O5</chemical-formula> <weight>797.2</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">2026-08-30T14:18:49Z</created-at> <updated-at type="dateTime">2026-08-30T14:18:49Z</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>CCC(CNC(=O)C1=C(C(=C(C(=C1I)N(CC)C(=O)CC)I)C(=O)N(CC)CC)I)C(=O)O</moldb-smiles> <moldb-formula>C22H30I3N3O5</moldb-formula> <moldb-inchi>InChI=1S/C22H30I3N3O5/c1-6-12(22(32)33)11-26-20(30)14-16(23)15(21(31)27(8-3)9-4)18(25)19(17(14)24)28(10-5)13(29)7-2/h12H,6-11H2,1-5H3,(H,26,30)(H,32,33)</moldb-inchi> <moldb-inchikey>BSKPDGFAFRGRTJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">796.932</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM328949</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-[[[3-(diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0283549</sync-id> <structure-inchikey>BSKPDGFAFRGRTJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000800001000010000800000000000000000000000000084000000000000000000000002000000000000000000000004000100000000000004000002000000000000000000008000200002000000000020040000000000000000000000000000010000010000000000000000004000200000000800100000002000000080000000000040000000000800000000000080000000000000000400020000000000000000000000000001000000080000000000100000000000000020000000000000800000004000200000000400000000000000000000000008000000100000000000000000000800000004000000000400008000000000000000040200000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���!���€���`�������`�������`�������`�������h��������(�������(������@(������@(������@(������@(������@(������@(�����5� ������(�������`�������`�������(�������(�������`�������`�����5� ������(�������(�������(�������`�������`�������`�������`�����5� ������(�������(�������h��������������������� ��(��� ��h�� h� h� �h���h�� ��� �������� ��(������� �� � ��(��� ��������������������(�� ��h�B�������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:13Z</structure-indexed-at> </compound>