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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name {4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid
ChEBI ID CHEBI:40118
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C21H21N5O5S
Net Charge 0
Average Mass 455.48814
Monoisotopic Mass 455.12634
InChI InChI=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)
InChIKey SXDBFKLPNPUPRI-UHFFFAOYSA-N
SMILES Cc1nc(no1)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)c1noc(C)n1
ChEBI Ontology
Outgoing {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 ACID PDBeChem
Manual Xrefs Databases
4UN PDBeChem
DB07127 DrugBank
View more database links
Last Modified
16 May 2008