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CHEBI:759802 - difelikefalin acetate

Default Structure
ChEBI IDCHEBI:759802
ChEBI Namedifelikefalin acetate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC2H4O2.C36H53N7O6
Net Charge0
Average Mass739.915
Monoisotopic Mass739.42686
SMILESCC(=O)O.CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C36H53N7O6.C2H4O2/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25;1-2(3)4/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49);1H3,(H,3,4)/t27-,28-,29-,30-;/m1./s1
InChIKeyMZWHRPKAHCWTOI-KGURMGBCSA-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)
difelikefalin acetate (CHEBI:759802) is a polypeptide (CHEBI:15841)
Synonyms  Source
Cr-845 acetateChEMBL
Difelikefalin acetateChEMBL
Brand Names  Source
KapruviaChEMBL
KorsuvaChEMBL