43679 <common-name>AMX diketopiperazine</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H19N3O5S</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">2016-06-03T09:58:57Z</created-at> <updated-at type="dateTime">2016-11-09T01:22:42Z</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>[H]C1(N[C@@]([H])(C(O)=O)C(C)(C)S1)C1([H])N=C(O)C([H])(N=C1O)C1=CC=C(O)C=C1</moldb-smiles> <moldb-formula>C16H19N3O5S</moldb-formula> <moldb-inchi>InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-14(25-16)10-13(22)17-9(12(21)18-10)7-3-5-8(20)6-4-7/h3-6,9-11,14,19-20H,1-2H3,(H,17,22)(H,18,21)(H,23,24)/t9?,10?,11-,14?/m0/s1</moldb-inchi> <moldb-inchikey>IIZCCQJEPBWGJU-DGVZPSOQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">365.4</moldb-average-mass> <moldb-mono-mass type="decimal">365.104541898</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>CHEM042574</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Gozlan et al., Chemosphere, 2013</stoff-ident-origin> <stoff-ident-id>SI00000609</stoff-ident-id> <susdat-id nil="true"/> <iupac>(4S)-2-[3,6-dihydroxy-5-(4-hydroxyphenyl)-2,5-dihydropyrazin-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid</iupac> </compound>