224388 <common-name>(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4h-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid</common-name> <description>(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4h-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid has the chemical formula C50H75N9O10S. With an average molecular weight of 994.30 g/mol, (2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4h-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid is a heavy molecule.</description> <cas>132031-83-5</cas> <pubchem-id>131463</pubchem-id> <chemical-formula>C50H75N9O10S</chemical-formula> <weight>994.3</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">2026-08-22T19:28:12Z</created-at> <updated-at type="dateTime">2026-08-22T19:28:12Z</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>C50H75N9O10S</moldb-formula> <moldb-inchi>InChI=1S/C50H75N9O10S/c1-5-8-12-24-36(23-9-6-2)69-50(67)43(70(4)68)30-41(56-44(60)37(52)7-3)48(64)58-40(29-35-31-53-32-54-35)47(63)57-39(27-33-19-13-10-14-20-33)46(62)55-38(25-17-18-26-51)45(61)59-42(49(65)66)28-34-21-15-11-16-22-34/h10-11,13-16,19-22,31-32,35-43H,5-9,12,17-18,23-30,51-52H2,1-4H3,(H,55,62)(H,56,60)(H,57,63)(H,58,64)(H,59,61)(H,65,66)/t35?,36?,37?,38-,39+,40+,41+,42+,43?,70?/m1/s1</moldb-inchi> <moldb-inchikey>WRSKQNYFHKIVPM-LDOUIJQZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">994.3</moldb-average-mass> <moldb-mono-mass type="decimal">993.5357608</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</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>CHEM220281</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-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0133839</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>