324512 <common-name>[3-[(3-formamido-2-hydroxycyclohexanecarbonyl)amino]-2,6,8-trimethyl-4,9-dioxo-1,5-dioxonan-7-yl] acetate</common-name> <description>[3-[(3-formamido-2-hydroxycyclohexanecarbonyl)amino]-2,6,8-trimethyl-4,9-dioxo-1,5-dioxonan-7-yl] acetate is a chemical compound with the formula C20H30N2O9. It has an average molecular weight of 442.50 g/mol.</description> <cas>101997-25-5</cas> <pubchem-id>133065604</pubchem-id> <chemical-formula>C20H30N2O9</chemical-formula> <weight>442.5</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">2026-08-30T01:45:57Z</created-at> <updated-at type="dateTime">2026-08-30T01:45:57Z</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>CC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2CCCC(C2O)NC=O)C)OC(=O)C</moldb-smiles> <moldb-formula>C20H30N2O9</moldb-formula> <moldb-inchi>InChI=1S/C20H30N2O9/c1-9-17(31-12(4)24)11(3)30-20(28)15(10(2)29-19(9)27)22-18(26)13-6-5-7-14(16(13)25)21-8-23/h8-11,13-17,25H,5-7H2,1-4H3,(H,21,23)(H,22,26)</moldb-inchi> <moldb-inchikey>JUPZKXOWNKELBU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">442.1951305</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</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>CHEM320405</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>[3-[(3-formamido-2-hydroxycyclohexanecarbonyl)amino]-2,6,8-trimethyl-4,9-dioxo-1,5-dioxonan-7-yl] acetate</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>CED0275167</sync-id> <structure-inchikey>JUPZKXOWNKELBU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000000000004000004000000800000000002020000000000000000110000000000002000000000000000000004000100000080400000000000000000020800800004300000020000002480000000000010000000000000000000000000000020004000000000100000800500810000041000000008000000200000080010000000000000000000000400000000020040004000000000000080000100000000000800000000100000000400000000000000000000000000000000000000100000000000000000000000010000000000000000000000000000000000400000002000000000400000000000800</structure-fingerprint> 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AAMCBgBgAAAAAQMLAAEAAQIAAgMAAwQABAUgBQYoAgUHAAcIAAgJAAkKIAoL KAIIDAAHDQANDiAODygCDhAAEBEAERIAEhMAExQAFBUAFRYAFBcAFxggGBko AgMaAAIbABscIBwdKAIcHgAKAQAVEABCAgAAAAkBAgMEBQcICQoGERITFBUQ FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:39Z</structure-indexed-at> </compound>