288872 <common-name>(6r,7r)-7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</common-name> <description>(6r,7r)-7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C13H20N3O3S+ and an average molecular weight of 298.38 g/mol.</description> <cas nil="true"/> <pubchem-id>9796245</pubchem-id> <chemical-formula>C13H20N3O3S+</chemical-formula> <weight>298.38</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">2026-08-28T02:05:46Z</created-at> <updated-at type="dateTime">2026-08-28T02:05:46Z</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>C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O</moldb-smiles> <moldb-formula>C13H20N3O3S+</moldb-formula> <moldb-inchi>InChI=1S/C13H19N3O3S/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19/h9,12H,2-7,14H2,1H3/p+1/t9-,12-/m1/s1</moldb-inchi> <moldb-inchikey>IIVPIDBZUUAWTF-BXKDBHETSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">298.1225377</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.2</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>CHEM284765</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>(6r,7r)-7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-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>CED0240585</sync-id> <structure-inchikey>IIVPIDBZUUAWTF-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>4000000000000000000840000000000000000000008000000000000008000000000000000000020000000000000000004000000002200000080020000000000000000000000000000000000000000000020000010000020000000000000000000000000010000000000001000802000000000020180000000000000020000100800004041000000000000000000000000001000000000000000000000000001000400000000000100000000280000000100000000000000000008000000000000000000000000010000000200000000000000000000000000004000000000000000000000800000000000000000080420000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������(�������`������� ������`�������(�������(�������h������������������������������(�� � ������ (���� ������� ��(��� ������� B������������ ������ ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:56Z</structure-indexed-at> </compound>