348221 <common-name>Benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate</common-name> <description>Benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate is a chemical compound with the formula C28H30N2O5S. With an average molecular weight of 506.60 g/mol, Benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate is a heavy molecule.</description> <cas>68835-73-4</cas> <pubchem-id>4092030</pubchem-id> <chemical-formula>C28H30N2O5S</chemical-formula> <weight>506.6</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">2026-08-31T12:09:38Z</created-at> <updated-at type="dateTime">2026-08-31T12:09:38Z</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(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3</moldb-smiles> <moldb-formula>C28H30N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C28H30N2O5S/c1-21(29-28(33)35-18-23-13-7-3-8-14-23)26(31)30-25(20-36-19-24-15-9-4-10-16-24)27(32)34-17-22-11-5-2-6-12-22/h2-16,21,25H,17-20H2,1H3,(H,29,33)(H,30,31)</moldb-inchi> <moldb-inchikey>ULROIICEMQPAKU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">506.1875432</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>CHEM344114</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>Benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate</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>CED0298556</sync-id> <structure-inchikey>ULROIICEMQPAKU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000080000000800000000c00000010000000000000000000000000000000001000000000000000000000000004800000000000000000000000000000000000000000000400000000000100000020000200000120000000008040002080000000010000000000000000000000004000000000004000000004000000000000000040200000840000004000000080000000000100000000000000020000000000000000000000000000080200000000000000000000000000000000000000000000000000000000010000000000000000000000000000000222000000000000000004000000000040000000002400000000000000000000000080000020</structure-fingerprint> 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