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CHEBI:135704 - sivelestat

ChEBI IDCHEBI:135704
ChEBI Namesivelestat
Stars
Last Modified31 March 2017
DownloadsMolfile
FormulaC20H22N2O7S
Net Charge0
Average Mass434.470
Monoisotopic Mass434.11477
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyBTGNGJJLZOIYID-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
sivelestat (CHEBI:135704) has functional parent N-benzoylglycine (CHEBI:18089)
sivelestat (CHEBI:135704) is a N-acylglycine (CHEBI:16180)
sivelestat (CHEBI:135704) is a pivalate ester (CHEBI:50784)
Manual XrefsDatabases
2452DrugCentral
Registry NumbersSources
CAS:127373-66-4DrugCentral