362713 <common-name>(2s,3s,5r)-3-(chloromethyl)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid</common-name> <description>(2s,3s,5r)-3-(chloromethyl)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a compound with the formula C8H10ClNO5S. It has an average molecular weight of 267.69 g/mol.</description> <cas nil="true"/> <pubchem-id>133242</pubchem-id> <chemical-formula>C8H10ClNO5S</chemical-formula> <weight>267.69</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">2026-09-01T12:05:59Z</created-at> <updated-at type="dateTime">2026-09-01T12:05:59Z</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(N2C(S1(=O)=O)CC2=O)C(=O)O)CCl</moldb-smiles> <moldb-formula>C8H10ClNO5S</moldb-formula> <moldb-inchi>InChI=1S/C8H10ClNO5S/c1-8(3-9)6(7(12)13)10-4(11)2-5(10)16(8,14)15/h5-6H,2-3H2,1H3,(H,12,13)/t5-,6+,8-/m1/s1</moldb-inchi> <moldb-inchikey>FKPMWHDUEDLOCA-GKROBHDKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">266.9968213</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.8</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>CHEM358606</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>(2s,3s,5r)-3-(chloromethyl)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic 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>CED0312773</sync-id> <structure-inchikey>FKPMWHDUEDLOCA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>804000000000000000000000000000010000010000000000000000000020000000000000000004000800000000000000040000000000000000000000000000000000000000000020000040000040000000020000100008000002010000000000000000000000000000020100000000200000000000120000000048000000000004000000200200000000000000000000000000000020000000800000000000000000080000000000010000000000000000000000000000000000004000000000000000000000000010800000000000000000000040000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>700441308102962098c243640128a0001000140203052010a83460408238404c44221050138000001100490800c0000004200285c08c1205029e453981a0400cc5110488109814015090106017e203000800b48151311eb243140562402219040c380003004c2201600090c2dcb40000208682108105e084311826620212100280440019cedc82080c040244882c0008391488124440160202260c8020c040a4c0d310000022c20282000948052c231442d00202a901080058a047100c404a02a01048a424d000131a800284175102800c010011830c50224d0022042a01030091b8091000000028004004015112b080181006389062002c5100108056400c06</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAwEHACgAAAADAwYAYAAAAAMBEAAgAAAABggAKAAAAAMCCAAoAAAA AwIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGACgAAAADBAgAKAAAAAMCCABo AAAAAwEBBgBgAAAAAgIRACAAAAABCwABAAECAAIDAAMEAAQFAAUGCAIFBwgC BAgACAkACQooAgILAAsMKAILDSABDgAODwAFAQAJAyBCAgAAAAUBAgMEBQQI CQMEFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:38Z</structure-indexed-at> </compound>