348424 <common-name>(4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid</common-name> <description>(4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is a compound with the formula C28H34ClN7O6S. With an average molecular weight of 632.10 g/mol, (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>136961845</pubchem-id> <chemical-formula>C28H34ClN7O6S</chemical-formula> <weight>632.1</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">2026-08-31T12:26:52Z</created-at> <updated-at type="dateTime">2026-08-31T12:26:52Z</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>CN1CCN(CC1)C2=NC3=C(C(=CC(=C3)Cl)SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N)NC4=CC=CC=C42</moldb-smiles> <moldb-formula>C28H34ClN7O6S</moldb-formula> <moldb-inchi>InChI=1S/C28H34ClN7O6S/c1-35-8-10-36(11-9-35)26-17-4-2-3-5-19(17)32-25-20(33-26)12-16(29)13-22(25)43-15-21(28(42)31-14-24(39)40)34-27(41)18(30)6-7-23(37)38/h2-5,12-13,18,21,32H,6-11,14-15,30H2,1H3,(H,31,42)(H,34,41)(H,37,38)(H,39,40)/t18-,21-/m0/s1</moldb-inchi> <moldb-inchikey>ACAYKYZTNOYVMH-RXVVDRJESA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">631.1979807</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.7</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>CHEM344317</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>(4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11h-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic 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>CED0298758</sync-id> <structure-inchikey>ACAYKYZTNOYVMH-UHFFFAOYSA-N</structure-inchikey> 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