340551 <common-name>Propan-2-yl (2r)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoate</common-name> <description>Propan-2-yl (2r)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoate is a chemical compound with the formula C24H35Br2N3O4S. With an average molecular weight of 621.40 g/mol, Propan-2-yl (2r)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoate is a heavy molecule.</description> <cas>97290-50-1</cas> <pubchem-id>24832815</pubchem-id> <chemical-formula>C24H35Br2N3O4S</chemical-formula> <weight>621.4</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">2026-08-31T00:14:55Z</created-at> <updated-at type="dateTime">2026-08-31T00:14:55Z</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)OC(=O)C(CSCC(=O)NC1=C(C=C(C=C1Br)Br)CN(C)C2CCCCC2)NC(=O)C</moldb-smiles> <moldb-formula>C24H35Br2N3O4S</moldb-formula> <moldb-inchi>InChI=1S/C24H35Br2N3O4S/c1-15(2)33-24(32)21(27-16(3)30)13-34-14-22(31)28-23-17(10-18(25)11-20(23)26)12-29(4)19-8-6-5-7-9-19/h10-11,15,19,21H,5-9,12-14H2,1-4H3,(H,27,30)(H,28,31)/t21-/m0/s1</moldb-inchi> <moldb-inchikey>UDIBXERBKGDNAH-NRFANRHFSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">619.0715</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM336444</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>Propan-2-yl (2r)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoate</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>CED0290956</sync-id> <structure-inchikey>UDIBXERBKGDNAH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60001000004080010400800000000c00000010000000000000000000000004020000001000000000000000000000000400000000000000000000000000000010000000000000000000400000000040000020040000000100000002808000000000000002014000004000000000184020000400020000004000000000000000500800000041000000040000000000000080100000004000000000000000000000000000000004000014000000080200000000000000010000000000000000000000000000000000000000040100000000000000000000000010000100000000200000008000000000008040000000000400080000010000200080000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���#���€���`�������`�������`�������(�������(�������(�������`�������`������� ������`�������(�������(�������h�������@(������@(������@h�������@(������@h�������@(�����#� ����#� ������`������� ������`�������`�������`�������`�������`�������`�������`�������h��������(�������(�������`����������������� ��(����������� � � �(� � � �h���h���h���h���h��������������������������������������� � (��!�� h����B����� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:47Z</structure-indexed-at> </compound>