224528 <common-name>4-[[2-[2-[[2-[[2-[2-[[6-amino-2-[(2-aminobenzoyl)amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>11980380</pubchem-id> <chemical-formula>C56H88N16O14</chemical-formula> <weight>1209.4</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">2026-08-22T19:37:36Z</created-at> <updated-at type="dateTime">2026-08-22T19:37:36Z</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 nil="true"/> <moldb-formula>C56H88N16O14</moldb-formula> <moldb-inchi>InChI=1S/C56H88N16O14/c1-7-9-18-38(46(59)75)65-47(76)32(5)64-51(80)42(26-27-44(73)74)68-54(83)43(30-34-22-24-35(25-23-34)72(85)86)70-52(81)39(19-10-8-2)69-55(84)45(31(3)4)71-53(82)41(21-15-29-62-56(60)61)66-48(77)33(6)63-50(79)40(20-13-14-28-57)67-49(78)36-16-11-12-17-37(36)58/h11-12,16-17,22-25,31-33,38-43,45H,7-10,13-15,18-21,26-30,57-58H2,1-6H3,(H2,59,75)(H,63,79)(H,64,80)(H,65,76)(H,66,77)(H,67,78)(H,68,83)(H,69,84)(H,70,81)(H,71,82)(H,73,74)(H4,60,61,62)</moldb-inchi> <moldb-inchikey>BXBJVWUVNVSLAM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1209.4</moldb-average-mass> <moldb-mono-mass type="decimal">1208.666592</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>CHEM220421</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>4-[[2-[2-[[2-[[2-[2-[[6-amino-2-[(2-aminobenzoyl)amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]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">0</paper-count> <sync-id>CED0079027</sync-id> <structure-inchikey nil="true"/> <structure-fingerprint nil="true"/> <structure-pattern-fingerprint nil="true"/> <structure-pickle nil="true"/> <structure-indexed-at nil="true"/> </compound>