100176 <common-name>N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate</common-name> <description>N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C46H91N5O4. With an average molecular weight of 838.32 g/mol, N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate is a heavy molecule.</description> <cas>68214-51-7</cas> <pubchem-id>109774</pubchem-id> <chemical-formula>C46H91N5O4</chemical-formula> <weight>778.2</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">2026-04-05T07:31:47Z</created-at> <updated-at type="dateTime">2026-09-01T04:28:10Z</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(O)=O.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(N)=O)CCC(N)=O)C(=O)CCCCCCCCCCCCCCCCC</moldb-smiles> <moldb-formula>C46H91N5O4</moldb-formula> <moldb-inchi>InChI=1/C46H91N5O4.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)49-37-40-51(42-41-50(38-35-43(47)52)39-36-44(48)53)46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-42H2,1-2H3,(H2,47,52)(H2,48,53)(H,49,54);1H3,(H,3,4)</moldb-inchi> <moldb-inchikey>BEGABRDNXCRDEU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">838.317</moldb-average-mass> <moldb-mono-mass type="decimal">777.7071064</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>13.6</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>CHEM096069</chemdb-id> <dsstox-id>DTXSID5071256</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063181</susdat-id> <iupac>N-[2-[2-[bis(3-amino-3-oxopropyl)amino]ethyl-octadecanoylamino]ethyl]octadecanamide</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">0</paper-count> <sync-id>CED0109319</sync-id> <structure-inchikey>BEGABRDNXCRDEU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000800000000000000800000000000004000000000000100000000002000000000000000000000004000000000000000000000002000008000000004000000000010400001000000020001000000000000000000000000000000020010000000000000000004000000000000000000000002000000000400000000040000000000000008000010080001800000200000000020040001004000000000000000000000000000000000000000028000000000000000000000010000008000004000000000000000000000000000000020000000000000000000000000000000000000000000020010400000001400000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA7AAAAOQAAAIABBgBgAAAAAQMGACgAAAAD BAgAaAAAAAMBAQgAKAAAAAMCBgBgAAAAAQMGAGAAAAACAgYAYAAAAAICBgBg AAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAIC BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA AAICBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEG AGAAAAACAgYAYAAAAAICBwAoAAAAAwMGAGAAAAACAgYAYAAAAAICBwAgAAAA AwYAYAAAAAICBgBgAAAAAgIGACgAAAADBAcAaAAAAAMBAggAKAAAAAMCBgBg AAAAAgIGAGAAAAACAgYAKAAAAAMEBwBoAAAAAwECCAAoAAAAAwIGACgAAAAD BAgAKAAAAAMCBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAA AgIGAGAAAAABAwsAAQABAiABAygCBAUABQYABgcABwgACAkACQoACgsACwwA DA0ADQ4ADg8ADxAAEBEAERIAEhMAExQAFBUAFRYoAhUXIBcYABgZABkaABob ABscABwdAB0eAB4fAB8gACAhICAiKAIdIwAjJAAkJQAlJiAlJygCGiggKCko AigqACorACssACwtAC0uAC4vAC8wADAxADEyADIzADM0ADQ1ADU2ADY3ADc4 ADg5ADk6AEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:08Z</structure-indexed-at> </compound>