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CHEBI:4787 - Enalkiren

ChEBI IDCHEBI:4787
ChEBI NameEnalkiren
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H56N6O6
Net Charge0
Average Mass656.869
Monoisotopic Mass656.42613
SMILESCOc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
InChIInChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
InChIKeyKQXVERRYBYGQJZ-WRPDIKACSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Enalkiren (CHEBI:4787) is a peptide (CHEBI:16670)
Synonyms  Source
EnalkirenKEGG COMPOUND
A 64662KEGG COMPOUND
Manual XrefsDatabases
C07466KEGG COMPOUND
D03738KEGG DRUG
Registry NumbersSources
CAS:113082-98-7KEGG COMPOUND