230500 <common-name>(2s)-2-[[(2s)-1-[(2s,3s)-2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-(5-aminopentanoylamino)-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]-[5-[[(2s)-1-[(2r)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>72941757</pubchem-id> <chemical-formula>C64H93N11O16</chemical-formula> <weight>1272.5</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">2026-08-23T03:15:06Z</created-at> <updated-at type="dateTime">2026-08-23T03:15:06Z</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>C64H93N11O16</moldb-formula> <moldb-inchi>InChI=1S/C64H93N11O16/c1-5-40(4)55(71-59(85)48-24-17-33-73(48)61(87)44(28-29-53(78)79)69-56(82)45(37-42-21-10-7-11-22-42)70-57(83)46(38-54(80)81)68-51(76)26-12-14-30-65)63(89)74-34-18-25-49(74)62(88)75(50(64(90)91)35-39(2)3)52(77)27-13-15-31-67-58(84)47-23-16-32-72(47)60(86)43(66)36-41-19-8-6-9-20-41/h6-11,19-22,39-40,43-50,55H,5,12-18,23-38,65-66H2,1-4H3,(H,67,84)(H,68,76)(H,69,82)(H,70,83)(H,71,85)(H,78,79)(H,80,81)(H,90,91)/t40-,43+,44-,45-,46-,47-,48-,49-,50-,55-/m0/s1</moldb-inchi> <moldb-inchikey>VKIPOMGKUAJAEY-GEPLSBMPSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1272.5</moldb-average-mass> <moldb-mono-mass type="decimal">1271.680176</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.3</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>CHEM226393</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)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]-[5-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoic 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>Peptidomimetics</klass> <subklass>Hybrid peptides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0194783</sync-id> </compound>