348262 <common-name>(3r)-5-(2,6-dichlorobenzoyl)oxy-3-[[(2s)-2-[[(2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid</common-name> <description>(3r)-5-(2,6-dichlorobenzoyl)oxy-3-[[(2s)-2-[[(2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid is a chemical compound with the formula C28H31Cl2N3O9. With an average molecular weight of 624.50 g/mol, (3r)-5-(2,6-dichlorobenzoyl)oxy-3-[[(2s)-2-[[(2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>10009105</pubchem-id> <chemical-formula>C28H31Cl2N3O9</chemical-formula> <weight>624.5</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">2026-08-31T12:12:39Z</created-at> <updated-at type="dateTime">2026-08-31T12:12:39Z</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>CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)NC(=O)OCC2=CC=CC=C2</moldb-smiles> <moldb-formula>C28H31Cl2N3O9</moldb-formula> <moldb-inchi>InChI=1S/C28H31Cl2N3O9/c1-15(2)24(33-28(40)42-13-17-8-5-4-6-9-17)26(38)31-16(3)25(37)32-20(12-22(35)36)21(34)14-41-27(39)23-18(29)10-7-11-19(23)30/h4-11,15-16,20,24H,12-14H2,1-3H3,(H,31,38)(H,32,37)(H,33,40)(H,35,36)/t16-,20+,24-/m0/s1</moldb-inchi> <moldb-inchikey>DFQKZFFVISYVDA-GANZUKCXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">623.143735</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM344155</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>(3r)-5-(2,6-dichlorobenzoyl)oxy-3-[[(2s)-2-[[(2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-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>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Peptidomimetics</klass> <subklass>Hybrid peptides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298597</sync-id> <structure-inchikey>DFQKZFFVISYVDA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000002000000800000000400000050000000010000000000000000000000001200000000000000000002000004000000000000000000000000000010000000000002401400200000000000000020000000000100000000008040000000000000010000000000000000080000004000000000000000020004000001100001000040200000800000020000040080000000000100000000000000020000002000000000000000000000080000000000000000000800000000000000000000000000100000000000010000000000000010100000000000400222000400000000000004000000000040000000002400000000000000000004080088000020</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������*���+���€���`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������`�������`�������(�������(�������h��������(�������(�������`�������(�������(�������(������@(������@(������@h�������@h�������@h�������@(������� ������ ������h��������(�������(�������(�������`������@(������@h�������@h�������@h�������@h�������@h���������������������(��� ������� � (� � ���� � ����(��� ��������������� ��(��� ��h���h���h���h���h����������� !(� " "#�#$�$%h�%&h�&'h�'(h�()h���h�)$h�B������������%&'()$����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:41Z</structure-indexed-at> </compound>