332483 <common-name>Butyl (2s)-2-[[(e)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate</common-name> <description>Butyl (2s)-2-[[(e)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate is a chemical compound with the formula C22H27NO4. It has an average molecular weight of 369.50 g/mol.</description> <cas>159086-03-0</cas> <pubchem-id>6444236</pubchem-id> <chemical-formula>C22H27NO4</chemical-formula> <weight>369.5</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">2026-08-30T13:40:31Z</created-at> <updated-at type="dateTime">2026-08-30T13:40:31Z</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>CCCCOC(=O)C(CC1=CC=CC=C1)NCCC(=O)C=CC2=CC=CO2</moldb-smiles> <moldb-formula>C22H27NO4</moldb-formula> <moldb-inchi>InChI=1S/C22H27NO4/c1-2-3-15-27-22(25)21(17-18-8-5-4-6-9-18)23-14-13-19(24)11-12-20-10-7-16-26-20/h4-12,16,21,23H,2-3,13-15,17H2,1H3/b12-11+/t21-/m0/s1</moldb-inchi> <moldb-inchikey>MDNDOHPJDIDCLS-VIOKTNGOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">369.1940083</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM328376</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>Butyl (2s)-2-[[(e)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate</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>CED0282999</sync-id> <structure-inchikey>MDNDOHPJDIDCLS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40840001000000000001800000000001002010000000000000000000010000000000000002000000000000000000000004000000000000000000002000000000000800000000000000010000000000000020801000000300000200008000100000021020010000001000004000000000000000000040000000000000000000000000000040200000800000004000200080000000000100000000400000000000000000000400000000000000080000000000000000000000000000000000000000000008000000002100000000000000000000000000000002000220000000002000000000000000000040000000010402000000000000000000020001000000</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� �h���h�� h� �h���������������(��� ��(��� ��h���h���h���h�� h���h�B����� �� � ����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:45Z</structure-indexed-at> </compound>