221021 <common-name>(2r)-2-[[(2s)-2-[3-[[(2r)-2-[[(2r)-2-[[(2s)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid</common-name> <description>(2r)-2-[[(2s)-2-[3-[[(2r)-2-[[(2r)-2-[[(2s)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. It has the formula C48H62N8O9 and is categorized as an organic acid derivative. With an average molecular weight of 895.10 g/mol, (2r)-2-[[(2s)-2-[3-[[(2r)-2-[[(2r)-2-[[(2s)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid is a heavy molecule.</description> <cas>152847-08-0</cas> <pubchem-id>71308744</pubchem-id> <chemical-formula>C48H62N8O9</chemical-formula> <weight>895.1</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">2026-08-22T15:05:09Z</created-at> <updated-at type="dateTime">2026-08-22T15:05:09Z</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>C48H62N8O9</moldb-formula> <moldb-inchi>InChI=1S/C48H62N8O9/c1-30(2)25-38(55-48(65)56-23-11-4-5-12-24-56)45(61)53-40(28-34-29-50-37-16-10-9-15-36(34)37)44(60)51-31(3)43(59)49-22-21-42(58)52-39(26-33-17-19-35(57)20-18-33)46(62)54-41(47(63)64)27-32-13-7-6-8-14-32/h6-10,13-20,29-31,38-41,50,57H,4-5,11-12,21-28H2,1-3H3,(H,49,59)(H,51,60)(H,52,58)(H,53,61)(H,54,62)(H,55,65)(H,63,64)/t31-,38+,39+,40-,41-/m1/s1</moldb-inchi> <moldb-inchikey>QVTBFVFPWXEIOX-VYAQOJDXSA-N</moldb-inchikey> <moldb-average-mass type="decimal">895.1</moldb-average-mass> <moldb-mono-mass type="decimal">894.4639756</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM216914</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>(2R)-2-[[(2S)-2-[3-[[(2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic 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>CED0115397</sync-id> <structure-inchikey nil="true"/> <structure-fingerprint nil="true"/> <structure-pattern-fingerprint nil="true"/> <structure-pickle type="binary" nil="true" encoding="base64"/> <structure-indexed-at type="dateTime" nil="true"/> </compound>