136803 <common-name>MIP-1095 I-131</common-name> <description>MIP-1095 I-131 belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C19H25IN4O8. With an average molecular weight of 568.34 g/mol, MIP-1095 I-131 is a heavy molecule.</description> <cas>1258980-67-4</cas> <pubchem-id>124220556</pubchem-id> <chemical-formula>C19H25IN4O8</chemical-formula> <weight>568.3</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">2026-04-14T20:02:16Z</created-at> <updated-at type="dateTime">2026-08-20T03:54:56Z</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>DB14978</drugbank-id> <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>OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NC1=CC=C([131I])C=C1)C(O)=O)C(O)=O</moldb-smiles> <moldb-formula>C19H25IN4O8</moldb-formula> <moldb-inchi>InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1/i20+4</moldb-inchi> <moldb-inchikey>LFEGKCKGGNXWDV-LUOJOMRDSA-N</moldb-inchikey> <moldb-average-mass type="decimal">568.335</moldb-average-mass> <moldb-mono-mass type="decimal">568.073362949</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.35</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>CHEM132696</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)-2-({[(1S)-1-carboxy-5-({[4-(¹³¹I)iodophenyl]carbamoyl}amino)pentyl]carbamoyl}amino)pentanedioic 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">98</paper-count> <sync-id>CED0019101</sync-id> <structure-inchikey>LFEGKCKGGNXWDV-LUOJOMRDSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000808000000400000000000000008104000000000000000000000000000880000001000000000004000000004000000000000000000000000000000000000000008000000000000060001000000000000000009000000000000000010002000010000000000000000000000000001000000000000000000000000000000400000000000000000080000000000000000000200000000000110000000000000000000000080040000000000000000000000000000000000000002008000000000000008000000000000000000000000000400200000000000000008000000800000048000000010400000000010000000600000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���h��������(�������(�������`�������`������ 4��������h��������(�������(�������h������� 4��������`�������`�������`�������`�������h��������(�������(�������h�������@(������@h�������@h�������@(�����5 ����ƒ����@h�������@h��������(�������h��������(�������(�������h��������(�������� ��(��������������� ��(�� � ������ � ������� ��(��� �� ��h���h���h������h���h� ���� ��(������ ��(���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:50:06Z</structure-indexed-at> </compound>