365433 <common-name>(2s)-2-amino-6-[2-chloroethoxycarbonyl(nitroso)amino]hexanoic acid</common-name> <description>(2s)-2-amino-6-[2-chloroethoxycarbonyl(nitroso)amino]hexanoic acid is a compound with the formula C9H16ClN3O5. It has an average molecular weight of 281.69 g/mol.</description> <cas>90957-40-7</cas> <pubchem-id>56159</pubchem-id> <chemical-formula>C9H16ClN3O5</chemical-formula> <weight>281.69</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">2026-09-01T16:00:46Z</created-at> <updated-at type="dateTime">2026-09-01T16:00:46Z</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(CCN(C(=O)OCCCl)N=O)CC(C(=O)O)N</moldb-smiles> <moldb-formula>C9H16ClN3O5</moldb-formula> <moldb-inchi>InChI=1S/C9H16ClN3O5/c10-4-6-18-9(16)13(12-17)5-2-1-3-7(11)8(14)15/h7H,1-6,11H2,(H,14,15)/t7-/m0/s1</moldb-inchi> <moldb-inchikey>OYQOJZUBNHLAMB-ZETCQYMHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">281.0778483</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.1</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>CHEM361326</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-6-[2-chloroethoxycarbonyl(nitroso)amino]hexanoic 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>CED0315387</sync-id> <structure-inchikey>OYQOJZUBNHLAMB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4004000000000000000080000000000000001000000000000000000000000000000000000000000000000000000000000400000c000000000000004000000000000000000000000000000000000000000020000000000100004004001000000000002000010100000000000000004000000000000000000000001000000000000000000000000000000004000000000000001000000000000000000000010000100002000000000000000000000000000000500000008000000000000000000000000000000000000000000000000000040010000000001000000000000000010000000000000840000000000000010400000401000000000000000000000080</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEQAAAIABBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAICBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAA AAACAgYAYAAAAAICEQAgAAAAAQcAKAAAAAMDCAAoAAAAAwIGAGAAAAACAgYA YAAAAAMBBgAoAAAAAwQIACgAAAADAggAaAAAAAMBAQcAYAAAAAECCwABAAEC AAIDAAMEIAQFKAIEBiAGBwAHCAAICQADCiAKCygCAAwADA0ADQ4ADg8oAg4Q IA0RAEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:30Z</structure-indexed-at> </compound>