86687 <common-name>N-(N-acetyl-3-phenyl-L-alanyl)-3,5-diiodo-L-tyrosine</common-name> <description>N-(N-acetyl-3-phenyl-L-alanyl)-3,5-diiodo-L-tyrosine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C20H20I2N2O5. With an average molecular weight of 622.20 g/mol, N-(N-acetyl-3-phenyl-L-alanyl)-3,5-diiodo-L-tyrosine is a heavy molecule.</description> <cas>3786-08-1</cas> <pubchem-id>440331</pubchem-id> <chemical-formula>C20H20I2N2O5</chemical-formula> <weight nil="true"/> <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">2026-04-04T21:50:39Z</created-at> <updated-at type="dateTime">2026-04-04T21:50:39Z</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(CC1=CC=CC=C1)C(O)=NC(CC1=CC(I)=C(O)C(I)=C1)C(O)=O</moldb-smiles> <moldb-formula>C20H20I2N2O5</moldb-formula> <moldb-inchi>InChI=1/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)</moldb-inchi> <moldb-inchikey>DWIHCEZUWCRUES-IRXDYDNUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">622.198</moldb-average-mass> <moldb-mono-mass type="decimal">621.9461677</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM082580</chemdb-id> <dsstox-id>DTXSID90958900</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00047069</susdat-id> <iupac nil="true"/> <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">0</paper-count> <sync-id>CED0146684</sync-id> <structure-inchikey>DWIHCEZUWCRUES-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001808800000000000000000000000000200000000000000008000000000000000000000000000014000000000000000000080000000000000000000000000002000000000000000020040000000000000004000000000000000000010000000000004000100000020000000000100000000000000000400000000040200000800000000000000000000000000100000000000000000000000000000000000000000000080000008000080000000000000000000000000080000000000000002000000000000000000000000000801000200220100010000000000000000800000040000000400400000000000000000000000000000000</structure-fingerprint> 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