<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350469</id>
  <title nil="true"/>
  <common-name>(2s,5s,6s)-6-[[2-(4-hydroxyphenyl)-2-[[2-oxo-6-[(e)-2-phenylethenyl]-1h-pyridine-3-carbonyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid</common-name>
  <description>(2s,5s,6s)-6-[[2-(4-hydroxyphenyl)-2-[[2-oxo-6-[(e)-2-phenylethenyl]-1h-pyridine-3-carbonyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a compound with the formula C30H28N4O7S. With an average molecular weight of 588.60 g/mol, (2s,5s,6s)-6-[[2-(4-hydroxyphenyl)-2-[[2-oxo-6-[(e)-2-phenylethenyl]-1h-pyridine-3-carbonyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>24846534</pubchem-id>
  <chemical-formula>C30H28N4O7S</chemical-formula>
  <weight>588.6</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">2026-08-31T15:33:32Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:33:32Z</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>CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=CC=C(NC4=O)C=CC5=CC=CC=C5)C(=O)O)C</moldb-smiles>
  <moldb-formula>C30H28N4O7S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H28N4O7S/c1-30(2)23(29(40)41)34-27(39)22(28(34)42-30)33-26(38)21(17-9-13-19(35)14-10-17)32-25(37)20-15-12-18(31-24(20)36)11-8-16-6-4-3-5-7-16/h3-15,21-23,28,35H,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,40,41)/b11-8+/t21?,22-,23-,28-/m0/s1</moldb-inchi>
  <moldb-inchikey>ARDSTGQKDDOTHX-ZBFDBWRRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">588.1678704</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM346362</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,5s,6s)-6-[[2-(4-hydroxyphenyl)-2-[[2-oxo-6-[(e)-2-phenylethenyl]-1h-pyridine-3-carbonyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic 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" nil="true"/>
  <sync-id>CED0300774</sync-id>
  <structure-inchikey>ARDSTGQKDDOTHX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>440020020002000010000000000006002000000000000000000000000040000000000008000000200000000000a0000014000000000000000000000002000002000000000000000400800000000000000020000050000240000200000042400000000000010000001000000000020000000000004100000000000000000000100000000048000000800001200000000680000000000104000000000000000021000000404000000000400400080000000000010000000000000000000000000000000002000000002040000010000000000000000000000000004200000020000000000000002004000040000000000400004100000000000100000100004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAqAAAALgAAAIABBgBgAAAAAQMGACAAAAAE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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:27Z</structure-indexed-at>
</compound>
