329065 <common-name>(4s)-n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1-pentyl-1,3-diazinane-4-carboxamide</common-name> <description>(4s)-n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1-pentyl-1,3-diazinane-4-carboxamide is a compound with the formula C21H31N7O5. It has an average molecular weight of 461.50 g/mol.</description> <cas>128083-59-0</cas> <pubchem-id>3080395</pubchem-id> <chemical-formula>C21H31N7O5</chemical-formula> <weight>461.5</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">2026-08-30T09:10:03Z</created-at> <updated-at type="dateTime">2026-08-30T09:10:03Z</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>CCCCCN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N</moldb-smiles> <moldb-formula>C21H31N7O5</moldb-formula> <moldb-inchi>InChI=1S/C21H31N7O5/c1-2-3-4-7-28-17(29)10-14(26-21(28)33)19(31)25-15(9-13-11-23-12-24-13)20(32)27-8-5-6-16(27)18(22)30/h11-12,14-16H,2-10H2,1H3,(H2,22,30)(H,23,24)(H,25,31)(H,26,33)/t14-,15-,16-/m0/s1</moldb-inchi> <moldb-inchikey>YLWYFUSTRGCWQL-JYJNAYRXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">461.2386671</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.2</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>CHEM324958</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>(4s)-n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1-pentyl-1,3-diazinane-4-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>CED0279636</sync-id> <structure-inchikey>YLWYFUSTRGCWQL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000044000000000000180020008040000080000000000084000000001002000000000000204002000000000202000200000000000000002004000000080000000001000000000000009000000000000002000000000400000400000800000000000002203000000040000000000000c000000020100000010040000000000100800000040000000000000200000004080001000000000000000000000000000000000200004000000000000080000000000445008000002008000000040000100000000000008001000008000000000000000000000000000000000000000000000000000000000000040001000010404000200000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAIwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgcAKAAAAAMDBgAoAAAAAwQIACgA AAADAgYAYAAAAAICBgBgAAAAAwEHAGgAAAADAgEGACgAAAADBAgAKAAAAAMC BgAoAAAAAwQIACgAAAADAgcAaAAAAAMCAQYAYAAAAAMBBgBgAAAAAgIGQCgA AAADBAZAaAAAAAMDAQdAKAAAAAMDBkBoAAAAAwMBB0A4AAAAAwEDBgAoAAAA AwQIACgAAAADAgcAKAAAAAMDBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBg AAAAAwEGACgAAAADBAgAKAAAAAMCBwBoAAAAAwECCwABAAECAAIDAAMEAAQF AAUGIAYHKAIGCAAICQAJCgAKCyALDCgCCQ0ADQ4oAg0PIA8QABARABESABIT aAwTFGgMFBVoDBUWaAwQFwAXGCgCFxkgGRoAGhsAGxwAHB0AHR4AHh8oAh4g IAsFIBYSaAwdGQBCAwAAAAYFCwoJCAYFExIWFRQFGhkdHBsXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:58Z</structure-indexed-at> </compound>