337242 <common-name>(2s)-2-[[1-[[(2s)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propanoic acid</common-name> <description>(2s)-2-[[1-[[(2s)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propanoic acid is a chemical compound with the formula C23H32N2O6S. It has an average molecular weight of 464.60 g/mol.</description> <cas nil="true"/> <pubchem-id>87992715</pubchem-id> <chemical-formula>C23H32N2O6S</chemical-formula> <weight>464.6</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">2026-08-30T20:01:18Z</created-at> <updated-at type="dateTime">2026-08-30T20:01:18Z</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>CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)O)SC(=O)C</moldb-smiles> <moldb-formula>C23H32N2O6S</moldb-formula> <moldb-inchi>InChI=1S/C23H32N2O6S/c1-14(2)19(32-15(3)26)20(27)25-23(11-5-6-12-23)22(30)24-18(21(28)29)13-16-7-9-17(31-4)10-8-16/h7-10,14,18-19H,5-6,11-13H2,1-4H3,(H,24,30)(H,25,27)(H,28,29)/t18-,19-/m0/s1</moldb-inchi> <moldb-inchikey>POVJRTWSWOOUQR-OALUTQOASA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">464.1981079</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM333135</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-[[1-[[(2s)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propanoic 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>CED0287683</sync-id> <structure-inchikey>POVJRTWSWOOUQR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800004000c00000000008000000000000000000000000000005000000200200000800008000004000000000020000000000000000000000000000000800400000000000000000020000000000100000200008000000000040000010000010040104000000000000000020000000000000000000000400800000048000000000000000000000080200000000000000000000000000000000000000000000000000000080000000000010000000000000000000000000080000080800000000000008002000000000004000000000000000220000500000000000000000800100040000000000400000001000000000000020004000000</structure-fingerprint> 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