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CHEBI:40118 - {4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid

ChEBI IDCHEBI:40118
ChEBI Name{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H21N5O5S
Net Charge0
Average Mass455.496
Monoisotopic Mass455.12634
SMILESCc1nc(C(Cc2ccccc2)(Cc2ccc(NS(=O)(=O)O)cc2)c2noc(C)n2)no1
InChIInChI=1S/C21H21N5O5S/c1-14-22-19(24-30-14)21(20-23-15(2)31-25-20,12-16-6-4-3-5-7-16)13-17-8-10-18(11-9-17)26-32(27,28)29/h3-11,26H,12-13H2,1-2H3,(H,27,28,29)
InChIKeySXDBFKLPNPUPRI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid (CHEBI:40118) is a 1,2,4-oxadiazole (CHEBI:46809)
{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid (CHEBI:40118) is a sulfamic acids (CHEBI:35719)
IUPAC Name 
{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid
Synonym  Source
{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACIDPDBeChem
Manual XrefsDatabases
4UNPDBeChem
DB07127DrugBank