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CHEBI:177667 - Sibrafiban

ChEBI IDCHEBI:177667
ChEBI NameSibrafiban
Stars
Last Modified29 July 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O6
Net Charge0
Average Mass420.466
Monoisotopic Mass420.20088
SMILESCCOC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(/C(N)=N\O)cc2)CC1
InChIInChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/t13-/m0/s1
InChIKeyWBNUCLPUOSXSNJ-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sibrafiban (CHEBI:177667) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
ethyl 2-[1-[(2S)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetate
Manual XrefsDatabases
D05834KEGG DRUG
4590509ChemSpider
Registry NumbersSources
CAS:170094-62-9ChemIDplus