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CHEBI:39592 - 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID

Default Structure
ChEBI IDCHEBI:39592
ChEBI Name5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H20N2O9S
Net Charge0
Average Mass464.452
Monoisotopic Mass464.08895
SMILES[H]OC(=O)c1c([H])c(S(=O)(=O)N([H])C([H])([H])c2c([H])c([H])c(C(=O)N([H])[C@]([H])(C(=O)C([H])([H])[H])C([H])([H])C(=O)O[H])c([H])c2[H])c([H])c([H])c1O[H]
InChIInChI=1S/C20H20N2O9S/c1-11(23)16(9-18(25)26)22-19(27)13-4-2-12(3-5-13)10-21-32(30,31)14-6-7-17(24)15(8-14)20(28)29/h2-8,16,21,24H,9-10H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-/m0/s1
InChIKeyLBAHOXPDTNUYCX-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID (CHEBI:39592) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACIDPDBeChem
5-[(4-{[(1S)-1-(carboxymethyl)-2-oxopropyl]carbamoyl}benzyl)sulfamoyl]-2-hydroxybenzoic acidPDBeChem
Manual XrefsDatabases
161PDBeChem