297086 <common-name>2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(1h-indol-3-ylmethyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid</common-name> <description>2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(1h-indol-3-ylmethyl)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 compound has the formula C15H18N4O4S and an average molecular weight of 350.40 g/mol.</description> <cas nil="true"/> <pubchem-id>90657215</pubchem-id> <chemical-formula>C15H18N4O4S</chemical-formula> <weight>350.4</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">2026-08-28T13:19:29Z</created-at> <updated-at type="dateTime">2026-08-28T13:19:29Z</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>C1=CC=C2C(=C1)C(=CN2)CC(=NO)SCC(C(=O)NCC(=O)O)N</moldb-smiles> <moldb-formula>C15H18N4O4S</moldb-formula> <moldb-inchi>InChI=1S/C15H18N4O4S/c16-11(15(22)18-7-14(20)21)8-24-13(19-23)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6,11,17,23H,5,7-8,16H2,(H,18,22)(H,20,21)/b19-13+/t11-/m0/s1</moldb-inchi> <moldb-inchikey>PQEHILHGDWJAOT-YODGCNRUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">350.1048762</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.6</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>CHEM292979</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-(1h-indol-3-ylmethyl)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>CED0248474</sync-id> <structure-inchikey>PQEHILHGDWJAOT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000801000010900000000000000000004000000000000000000000000800000048011000008000006000000000000000000000000000000000000000000000400000000000000000020000000000000000104000000000000002000030000000000000000000000000000000000000000000000000000000000000000000000840000200000000080009000000100000000000000000000000000000000000024040100080000000000000080000000008000000000000000000000050000000100000000000000000000000000000000400200000001040000000000000040000041000000000400004000000008000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>502000108912064080000140010820000000140001052004003420608220888c44222050108000000000410800800000042000a4808c32010602643000a44000c6110400029104000090102002620300000405905101113240400422100009020c2005270048020020000000d5340000200680700905e00431392a280211001a104400184ef082080c0202408a2c0008113c081244c014830006080000404084404310000010c00002000940057c2d104ac002008941084818804210084042100000008424400233018082040441028004000000020058200d000204280003001010481010010204000000114052200000100030804a002e4048008052400006</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@(������@h�������@8��������`�������(�������(�������h�������� ������`�������`�������(�������(�������h��������`�������(�������(�������h��������`��������h���h���h���h���h���h���h���h�� � � �(��� � ����������(��� ��������(��� �����h���h�B���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:08:06Z</structure-indexed-at> </compound>