335976 <common-name>3-[[(2s)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic s-acid</common-name> <description>3-[[(2s)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic s-acid is a chemical compound with the formula C23H26F2N2O7S2. With an average molecular weight of 544.60 g/mol, 3-[[(2s)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic s-acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>163410396</pubchem-id> <chemical-formula>C23H26F2N2O7S2</chemical-formula> <weight>544.6</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">2026-08-30T18:15:40Z</created-at> <updated-at type="dateTime">2026-08-30T18:15:40Z</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)OCC1=C(C=C(C=C1)F)F)NCC(C(=O)S)NC(=O)COC2=CC=CC=C2)S(=O)O</moldb-smiles> <moldb-formula>C23H26F2N2O7S2</moldb-formula> <moldb-inchi>InChI=1S/C23H26F2N2O7S2/c1-23(2,36(31)32)20(21(29)34-12-14-8-9-15(24)10-17(14)25)26-11-18(22(30)35)27-19(28)13-33-16-6-4-3-5-7-16/h3-10,18,20,26H,11-13H2,1-2H3,(H,27,28)(H,30,35)(H,31,32)/t18?,20-/m0/s1</moldb-inchi> <moldb-inchikey>IMSVOGKXEKFBHS-IJHRGXPZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">544.1149498</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM331869</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>3-[[(2s)-1-[(2,4-difluorophenyl)methoxy]-3-methyl-1-oxo-3-sulfinobutan-2-yl]amino]-2-[(2-phenoxyacetyl)amino]propanethioic s-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>CED0286440</sync-id> <structure-inchikey>IMSVOGKXEKFBHS-UHFFFAOYSA-N</structure-inchikey> 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