89498 <common-name>[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl morpholine-4-acetate</common-name> <description>[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl morpholine-4-acetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the formula C17H21Cl2N3O7 and an average molecular weight of 450.27 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C17H21Cl2N3O7</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">2026-04-04T23:47:33Z</created-at> <updated-at type="dateTime">2026-04-04T23:47:33Z</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)(C1=CC=C(C=C1)N(=O)=O)[C@]([H])(COC(=O)CN1CCOCC1)N=C(O)C(Cl)Cl</moldb-smiles> <moldb-formula>C17H21Cl2N3O7</moldb-formula> <moldb-inchi>InChI=1/C17H21Cl2N3O7/c18-16(19)17(25)20-13(10-29-14(23)9-21-5-7-28-8-6-21)15(24)11-1-3-12(4-2-11)22(26)27/h1-4,13,15-16,24H,5-10H2,(H,20,25)</moldb-inchi> <moldb-inchikey>GTKMFTZKVBNTSR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">450.27</moldb-average-mass> <moldb-mono-mass type="decimal">449.0756554</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>CHEM085391</chemdb-id> <dsstox-id>DTXSID40951926</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050393</susdat-id> <iupac nil="true"/> <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">0</paper-count> <sync-id>CED0144350</sync-id> <structure-inchikey>GTKMFTZKVBNTSR-DZGCQCFKSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000010000000000000000008300000000000040000000000000000000000000004000000000000004000000000000000001000000000000000000000000000000020800000800100001004400000400040000000010000000200004000000200020020020100020000000000000000000000000000000000000000000000000000000080001000000000000000000020000000008000000000000400082000040000000040000000018000000000000000200000000000000000008000000000000010000000000000000200000010010000420000000044000040080000000400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� 4��������`������@(������@h�������@h�������@(������@h�������@h��������*��������*���ÿ����(������ 4��������`�������(�������(�������(�������`������� ������`�������`������� ������`�������`�������(�������(�������h��������`������� ������ �������������h���h���h���h���h��� � � (�������� � � ��(���������������������������(��� �����������h����B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:43Z</structure-indexed-at> </compound>