289847 <common-name>2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(6-methylsulfanylhexyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid</common-name> <description>2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(6-methylsulfanylhexyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the chemical formula C13H25N3O4S2 and an average molecular weight of 351.50 g/mol.</description> <cas nil="true"/> <pubchem-id>90657156</pubchem-id> <chemical-formula>C13H25N3O4S2</chemical-formula> <weight>351.5</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">2026-08-28T03:23:48Z</created-at> <updated-at type="dateTime">2026-08-28T03:23:48Z</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>CSCCCCCCC(=NO)SCC(C(=O)NCC(=O)O)N</moldb-smiles> <moldb-formula>C13H25N3O4S2</moldb-formula> <moldb-inchi>InChI=1S/C13H25N3O4S2/c1-21-7-5-3-2-4-6-11(16-20)22-9-10(14)13(19)15-8-12(17)18/h10,20H,2-9,14H2,1H3,(H,15,19)(H,17,18)/b16-11+/t10-/m0/s1</moldb-inchi> <moldb-inchikey>OLIVGXOVIZTTSI-ADHQNKHFSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">351.1286486</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.1</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>CHEM285740</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>2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(6-methylsulfanylhexyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic 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>CED0241528</sync-id> <structure-inchikey>OLIVGXOVIZTTSI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40100000000000000001801000000800000000000000000004002000000000000000000000000000000011000000000006200000000000000000000000000000000000000000000400000000000000000020000000000000000104000000000000002000010000000000000000000000000000000000000000000000000000000000000040000000040000000000010080009002000000000000000000001000000000000000000000000100000000000000000080000000008000000000000000000008010000000000000000000000000000000020000000400000000000040000000000000040400000000000010400000200000008000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>402000008102064080000100010820000000000000052000003000600220800c4022205000800000000041000080000004200084808c10010600643000a40000c6110400000100000080102000620100000400004000003240400422000009000c2000000040020000000000d4340000200080500905e004313802000210000a00440018046080080c020200880c000811140012444014020004080000404000404310000010c00000000940056c25104ac0020088010800100000000040020000000084244000020080820400410280000000000200480009000000280000000000080010000004000000004002200000100010804800200040008050400006</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������`�������(�������(�������h�������� ������`�������`�������(�������(�������h��������`�������(�������(�������h��������`������������������������������� (� ������� � ����(��� ��������(��� ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:02:37Z</structure-indexed-at> </compound>