20924 <common-name>Alacepril</common-name> <description>Alacepril is an organic compound with the formula C20H26N2O5S and an average molecular weight of 406.50 g/mol. Alacepril belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. In terms of its biological activity, it acts as a modulator of the protein target Angiotensin-converting enzyme (ACE).</description> <cas>74258-86-9</cas> <pubchem-id>71992</pubchem-id> <chemical-formula>C20H26N2O5S</chemical-formula> <weight>406.5</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">2016-05-22T06:32:26Z</created-at> <updated-at type="dateTime">2026-08-20T06:21:34Z</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>DB21364</drugbank-id> <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>[H][C@@](C)(CSC(C)=O)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O</moldb-smiles> <moldb-formula>C20H26N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C20H26N2O5S/c1-13(12-28-14(2)23)19(25)22-10-6-9-17(22)18(24)21-16(20(26)27)11-15-7-4-3-5-8-15/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,21,24)(H,26,27)/t13-,16+,17+/m1/s1</moldb-inchi> <moldb-inchikey>FHHHOYXPRDYHEZ-COXVUDFISA-N</moldb-inchikey> <moldb-average-mass type="decimal">406.5</moldb-average-mass> <moldb-mono-mass type="decimal">406.156243119</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>CHEM019819</chemdb-id> <dsstox-id>DTXSID3048576</dsstox-id> <toxcast-id>48576</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00121309</susdat-id> <iupac>(2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid</iupac> <moldb-polar-surface-area>107.27</moldb-polar-surface-area> <moldb-refractivity>106.54079999999998</moldb-refractivity> <moldb-polarizability>42.34426029862556</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>3.841536179929307</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.7025259459532252</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.77</moldb-alogps-logp> <moldb-alogps-logs>-3.80</moldb-alogps-logs> <moldb-alogps-solubility>6.40e-02 g/l</moldb-alogps-solubility> <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">208</paper-count> <sync-id>CED0015093</sync-id> <structure-inchikey>FHHHOYXPRDYHEZ-COXVUDFISA-N</structure-inchikey> 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<structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� 4��������`�������`������� ������(�������`�������(�������(�������(�������(�������`�������`�������`������ 4��������(�������h��������(������ 4��������`������@(������@h�������@h�������@h�������@h�������@h��������(�������h��������(������������������������������(�� � ������ � ���� ��(������������h���h���h���h���h������ ��(� ���h�B����� �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:08:19Z</structure-indexed-at> </compound>