329321 <common-name>(2s)-5-amino-2-[[(2s)-4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanoyl]amino]-5-oxopentanoic acid</common-name> <description>(2s)-5-amino-2-[[(2s)-4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanoyl]amino]-5-oxopentanoic acid is a chemical compound with the formula C21H35N5O5. It has an average molecular weight of 437.50 g/mol.</description> <cas>96717-70-3</cas> <pubchem-id>3086431</pubchem-id> <chemical-formula>C21H35N5O5</chemical-formula> <weight>437.5</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">2026-08-30T09:30:50Z</created-at> <updated-at type="dateTime">2026-08-30T09:30:50Z</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>CCC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)NC(CCC(=O)N)C(=O)O)N</moldb-smiles> <moldb-formula>C21H35N5O5</moldb-formula> <moldb-inchi>InChI=1S/C21H35N5O5/c1-3-12(2)18(24)20(29)25-15(9-6-13-4-7-14(22)8-5-13)19(28)26-16(21(30)31)10-11-17(23)27/h4-5,7-8,12-16,18H,3,6,9-11,22,24H2,1-2H3,(H2,23,27)(H,25,29)(H,26,28)(H,30,31)/t12-,13?,14?,15-,16-,18-/m0/s1</moldb-inchi> <moldb-inchikey>PIBFCSFJWSOWNH-WZTTZCIUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">437.2638192</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.6</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>CHEM325214</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)-5-amino-2-[[(2s)-4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanoyl]amino]-5-oxopentanoic 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>CED0279888</sync-id> <structure-inchikey>PIBFCSFJWSOWNH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000008000000004000008000000000000000200000000100002000090020000000000010000000000040000000000000000000000000000000000000040000004000000000000000000200000000000000000010090000000000020000100000088000000000000040000000000000000000000000000001000000000400000100000020000000000800010000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000008010080000000000002080000000000000000000000100000000a0000000400000000000800800000040000020000400000000011000000020000080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAHwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAQMGAGAAAAADAQYAKAAAAAMECAAoAAAAAwIHAGgA AAADAgEGAGAAAAADAQYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQYAaAAAAAMD AQYAaAAAAAMDAQYAYAAAAAMBBgBoAAAAAwMBBgBoAAAAAwMBBwBgAAAAAQIG ACgAAAADBAgAKAAAAAMCBwBoAAAAAwIBBgBgAAAAAwEGAGAAAAACAgYAYAAA AAICBgAoAAAAAwQIACgAAAADAgcAaAAAAAMBAgYAKAAAAAMECAAoAAAAAwII AGgAAAADAQEHAGAAAAABAgsAAQABAgACAwACBAAEBQAFBigCBQcgBwgACAkA CQoACgsACwwADA0IAg0OAA4PAA8QCAIOEQAIEgASEygCEhQgFBUAFRYAFhcA FxgAGBkoAhgaIBUbABscKAIbHSAEHgAQCwBCAQAAAAYLEA8ODQwXBAAAAAAA AAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:11Z</structure-indexed-at> </compound>