322408 <common-name>(2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-methoxybenzoyl]amino]butanedioic acid</common-name> <description>(2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-methoxybenzoyl]amino]butanedioic acid is a chemical compound with the formula C20H22N8O6. It has an average molecular weight of 470.40 g/mol.</description> <cas>82144-28-3</cas> <pubchem-id>3067853</pubchem-id> <chemical-formula>C20H22N8O6</chemical-formula> <weight>470.4</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">2026-08-29T22:28:28Z</created-at> <updated-at type="dateTime">2026-08-29T22:28:28Z</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>CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)OC</moldb-smiles> <moldb-formula>C20H22N8O6</moldb-formula> <moldb-inchi>InChI=1S/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)12-4-3-9(5-13(12)34-2)18(31)25-11(19(32)33)6-14(29)30/h3-5,7,11H,6,8H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t11-/m0/s1</moldb-inchi> <moldb-inchikey>XMXRJTLFZFKCNF-NSHDSACASA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">470.1662305</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.2</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>CHEM318301</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-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-methoxybenzoyl]amino]butanedioic 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>CED0273115</sync-id> <structure-inchikey>XMXRJTLFZFKCNF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000020020000080004000040000000000000000000000000000000040000000000000000140000000000000200400004000080000000000000200001000020000000000000000008010000000002000000000010000000800800000000000000001000000004000000010400000000000000000000000000000000000000000004000000000060000000004008014100000000000000000800000000000200000000000200000000008400040000000100008500000000000000000018000040000200000000000800000000001000000440000080040020000000000000000000000080100004000000000040000000000002000000000002c001000</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���h���h�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:56Z</structure-indexed-at> </compound>