<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">279108</id>
  <title nil="true"/>
  <common-name>(2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-sulfinamoylpropan-2-yl]amino]-5-oxopentanoic acid</common-name>
  <description>(2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-sulfinamoylpropan-2-yl]amino]-5-oxopentanoic acid is a compound with the formula C10H18N4O7S. It has an average molecular weight of 338.34 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>129320411</pubchem-id>
  <chemical-formula>C10H18N4O7S</chemical-formula>
  <weight>338.34</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">2026-08-26T19:00:43Z</created-at>
  <updated-at type="dateTime">2026-08-26T19:00:43Z</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>C(CC(=O)NC(CS(=O)N)C(=O)NCC(=O)O)C(C(=O)O)N</moldb-smiles>
  <moldb-formula>C10H18N4O7S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H18N4O7S/c11-5(10(19)20)1-2-7(15)14-6(4-22(12)21)9(18)13-3-8(16)17/h5-6H,1-4,11-12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t5-,6-,22?/m0/s1</moldb-inchi>
  <moldb-inchikey>BWVLZQPOYZAICL-MCKUKDPPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">338.0896201</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-5.9</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>CHEM275001</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)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-sulfinamoylpropan-2-yl]amino]-5-oxopentanoic 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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0231176</sync-id>
  <structure-inchikey>BWVLZQPOYZAICL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000004000000000800000000400000000000004000004400000000000000001000000000000000010000000000006000000001000000000000000000000000000000000000400000000000000000020000000000000000000009000000000002000010000000000000000100001082000000000000000000000000000000000000000000000000000000000000080001000000000040000000000004000000000100000000000000000000000000000100080000000000000000000000000000008010000000000000000000080000000000000000000400000000000010000000080000840000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>500000208102060088000504010820000000040000052000003000408200000c4482005000800800000041080080000004200084808c10010200643000a04000c6110400000004804090102000620100000404805000003240400422000009000c3000020048020000001000d4340000200080500105e0043118120002100002024400180ce080080c020200882c000811140812444014020204080000424080404300000010c00000000940056c25104ac802008801080010000210084002000000008404401002008002040441028000000000020048000d400800080100000000081010000000004000014012200000100030804200244000008050500006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������h��������`�������`������� ������(�������`�������(�������(�������h��������`�������(�������(�������h��������`�������(�������(�������h��������`��������������(��� ��������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:54:31Z</structure-indexed-at>
</compound>
