293051 <common-name>N-[(3s,4s,4as,5r)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-isochromen-4-yl]-2-aminopropanamide</common-name> <description>N-[(3s,4s,4as,5r)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-isochromen-4-yl]-2-aminopropanamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C14H20Cl2N2O5 and an average molecular weight of 367.20 g/mol.</description> <cas>142429-34-3</cas> <pubchem-id>54715436</pubchem-id> <chemical-formula>C14H20Cl2N2O5</chemical-formula> <weight>367.2</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">2026-08-28T08:24:33Z</created-at> <updated-at type="dateTime">2026-08-28T08:24:33Z</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(=O)NC1C2C(CCC(=C2C(=O)OC1(C)C(Cl)Cl)O)O)N</moldb-smiles> <moldb-formula>C14H20Cl2N2O5</moldb-formula> <moldb-inchi>InChI=1S/C14H20Cl2N2O5/c1-5(17)11(21)18-10-8-6(19)3-4-7(20)9(8)12(22)23-14(10,2)13(15)16/h5-6,8,10,13,19-20H,3-4,17H2,1-2H3,(H,18,21)/t5?,6-,8+,10+,14+/m1/s1</moldb-inchi> <moldb-inchikey>GYTZHYRLVJRLBV-MNRSTLFMSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">366.0749271</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</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>CHEM288944</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>N-[(3s,4s,4as,5r)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-isochromen-4-yl]-2-aminopropanamide</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>CED0244589</sync-id> <structure-inchikey>GYTZHYRLVJRLBV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000200080000000000000000000000004001000000001002000020000000000000000010000000000000000000000000000000000000008000000400000000000000000020800000000000000000000000000000002000010000800000400000000000200020020000000000000000000000100020000048000000800000000000000080001000000000000800000000400020200000000004000000000000080000040000000000004000000000000000000000000000000200002000000000000040020011000040000000210000000001000000000000000000020000000000000400000000100000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������(�������(�������(�������(�������(������� ������`�������`������� ������ ������h��������`�������`��������������(��� ������������� � � �(��� � (��� ��������������� � ������������B�������������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:05:03Z</structure-indexed-at> </compound>