<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46167</id>
  <title nil="true"/>
  <common-name>Carbamic acid, [(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester</common-name>
  <description nil="true"/>
  <cas>191226-98-9</cas>
  <pubchem-id>10279676</pubchem-id>
  <chemical-formula>C25H35N3O7S</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">2016-06-03T12:48:14Z</created-at>
  <updated-at type="dateTime">2026-03-26T23:11:44Z</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][C@@](O)(CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)N(=O)=O)[C@]([H])(CC1=CC=CC=C1)N=C(O)OC(C)(C)C</moldb-smiles>
  <moldb-formula>C25H35N3O7S</moldb-formula>
  <moldb-inchi>InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1</moldb-inchi>
  <moldb-inchikey>CQGKCZKCWMWXQP-XZOQPEGZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">521.63</moldb-average-mass>
  <moldb-mono-mass type="decimal">521.219571653</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8455153</chemspider-id>
  <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>CHEM045062</chemdb-id>
  <dsstox-id>DTXSID80437719</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00007155</stoff-ident-id>
  <susdat-id>NS00005248</susdat-id>
  <iupac>N-[(2R,3S)-3-{[(tert-butoxy)(hydroxy)methylidene]amino}-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-4-nitrobenzene-1-sulfonamide</iupac>
</compound>
