312533 <common-name>(2s)-4-methyl-2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]pentanoic acid</common-name> <description>(2s)-4-methyl-2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]pentanoic acid has the chemical formula C18H20I4N2O5. With an average molecular weight of 852.00 g/mol, (2s)-4-methyl-2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]pentanoic acid is a heavy molecule.</description> <cas>29820-30-2</cas> <pubchem-id>207381</pubchem-id> <chemical-formula>C18H20I4N2O5</chemical-formula> <weight>852</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">2026-08-29T09:02:54Z</created-at> <updated-at type="dateTime">2026-08-29T09:02:54Z</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(C)CC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCOCC2)I)I</moldb-smiles> <moldb-formula>C18H20I4N2O5</moldb-formula> <moldb-inchi>InChI=1S/C18H20I4N2O5/c1-8(2)7-9(18(27)28)23-16(25)10-12(19)14(21)11(15(22)13(10)20)17(26)24-3-5-29-6-4-24/h8-9H,3-7H2,1-2H3,(H,23,25)(H,27,28)/t9-/m0/s1</moldb-inchi> <moldb-inchikey>KRESJWQYGJMUMA-VIFPVBQESA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">851.7551</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM308426</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)-4-methyl-2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]pentanoic 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>CED0263463</sync-id> <structure-inchikey>KRESJWQYGJMUMA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4010000000000000000080000000040000000000000000000000000000000000000000100000000000000000000000000400000000000000000000000200020000100000000000000020000000000000002084000080000000000000800001000000000001000000400000000000000000000002010212000000000000000000000000004000000000000000000000008000000000000000000000000000000000000000000000000000000008000004000000104000000000a000008000000000000000000000200000008000000000000000000000000000000010000000000000000000000900000000000000000400000000000000000400444000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(�������(�������h��������h��������(�������(������@(������@(������@(������@(������@(������@(�����5� ����5� ������(�������(�������(�������`�������`������� ������`�������`�����5� ����5� ����������������������(��� ���� (� � ��h�� h� �h���h���h��������� ��(��� ��������������� �������h����B��������� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:28Z</structure-indexed-at> </compound>