324537 <common-name>N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide</common-name> <description>N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide is a chemical compound with the formula C20H30N8O5. It has an average molecular weight of 462.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3584802</pubchem-id> <chemical-formula>C20H30N8O5</chemical-formula> <weight>462.5</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">2026-08-30T01:48:22Z</created-at> <updated-at type="dateTime">2026-08-30T01:48:22Z</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>CNCC(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C20H30N8O5</moldb-formula> <moldb-inchi>InChI=1S/C20H30N8O5/c1-23-12-17(29)27-11-3-5-16(27)19(31)26-15(4-2-10-24-20(21)22)18(30)25-13-6-8-14(9-7-13)28(32)33/h6-9,15-16,23H,2-5,10-12H2,1H3,(H,25,30)(H,26,31)(H4,21,22,24)</moldb-inchi> <moldb-inchikey>JCWLDUJEFLRICN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">462.2339161</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.9</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>CHEM320430</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>N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide</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>CED0275192</sync-id> <structure-inchikey>JCWLDUJEFLRICN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000400000980000000000140000000000020000000000000000000000000012000000000000000000000020000000000000000000010000000000400200000000080000020000000004000001004009000400040000002010000000610000001000000000000020100000000002000000040100800000040000400000010000000000080001000001000000000000000000020000020000004000000000000080040000000020084000000008000000000000000000000000000000000200000000000800000000000000000008200000000000000428000000000000040000000010402000000001000000010080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���"���€���`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������(�������(�������h��������`�������`�������`�������`�������(�������(�������h��������h��������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ��������������(��� ���������� � � �(� � � � �������������(��� �� ����(��� �� ��h���h���h���h���h��� ��(�� ����h�B��������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:40Z</structure-indexed-at> </compound>