327181 <common-name>2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoic acid</common-name> <description>2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoic acid is a compound with the formula C21H24Cl2N2O3. It has an average molecular weight of 423.30 g/mol.</description> <cas nil="true"/> <pubchem-id>104257</pubchem-id> <chemical-formula>C21H24Cl2N2O3</chemical-formula> <weight>423.3</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">2026-08-30T06:04:11Z</created-at> <updated-at type="dateTime">2026-08-30T06:04:11Z</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>CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)N(CCCl)CCCl</moldb-smiles> <moldb-formula>C21H24Cl2N2O3</moldb-formula> <moldb-inchi>InChI=1S/C21H24Cl2N2O3/c1-15-7-8-17(14-19(15)25(11-9-22)12-10-23)20(26)24-18(21(27)28)13-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3,(H,24,26)(H,27,28)</moldb-inchi> <moldb-inchikey>WUSHPLBXBUKHBV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">422.116398</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM323074</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>2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]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>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277793</sync-id> <structure-inchikey>WUSHPLBXBUKHBV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000400000000000000000000000000000000000000000000000000000000000000000004000000000000000000000002000000000200000000000000000000000000000020000000000000000000008000000000000000010000000000104008104000000000000000000000000000000000000800000040200000800204000000000080000000000100000000000000000400000000000000000000000000084100008000001001008000000000000000000000000000000000000000008000000000000011104000002800000220000000000000000000000800000040000000000400000001000000000000020020000000</structure-fingerprint> 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AgNoDAMEaAwEBWgMBQZoDAQHIAcIKAIHCSAJCgAKCwALDAAMDWgMDQ5oDA4P aAwPEGgMEBFoDAoSABITKAISFCACFSAVFgAWFwAXGAAVGQAZGgAaGwAGAWgM EQxoDEICAAAABgEGBQQDAgYNDg8QEQwXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:36Z</structure-indexed-at> </compound>