324566 <common-name>Ethyl (2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate</common-name> <description>Ethyl (2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate is a compound with the formula C20H31Cl2N3O3. It has an average molecular weight of 432.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3052151</pubchem-id> <chemical-formula>C20H31Cl2N3O3</chemical-formula> <weight>432.4</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">2026-08-30T01:51:35Z</created-at> <updated-at type="dateTime">2026-08-30T01:51:35Z</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>CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(C(C)C)N</moldb-smiles> <moldb-formula>C20H31Cl2N3O3</moldb-formula> <moldb-inchi>InChI=1S/C20H31Cl2N3O3/c1-4-28-20(27)17(24-19(26)18(23)14(2)3)13-15-5-7-16(8-6-15)25(11-9-21)12-10-22/h5-8,14,17-18H,4,9-13,23H2,1-3H3,(H,24,26)/t17-,18-/m0/s1</moldb-inchi> <moldb-inchikey>FOGDYNJWCOEMQT-ROUUACIJSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">431.1742472</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM320459</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>Ethyl (2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]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>CED0275221</sync-id> <structure-inchikey>FOGDYNJWCOEMQT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000180000000040000001000000000000000000000000000020000100200020000000000000000000000000000000000000000000000000000000000000000040000002000000000002000000000010000000100800000000000200001000000000000400000400000000000000000008000000000000002080000004000040000800400400000008000100000000000000002000000000000000000000000000000000008000000000000000100a000000000000000000000000000000000000000000000000000000011000000002000000220000400000080002000000000000040000000000400000001000000000000020080000000</structure-fingerprint> 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