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CHEBI:65347 - carfilzomib

ChEBI IDCHEBI:65347
ChEBI Namecarfilzomib
Stars
DefinitionA synthetic tetrapeptide consisting of morpholin-4-acetyl, L-2-amino-4-phenylbutanoyl, L-leucyl and L-phenylalanyl residues joined in sequence with the C-terminus connected to the amino group of (2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-1-one via an amide linkage. Used for the treatment of patients with multiple myeloma
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC40H57N5O7
Net Charge0
Average Mass719.924
Monoisotopic Mass719.42580
SMILESCC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
InChIKeyBLMPQMFVWMYDKT-NZTKNTHTSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
proteasome inhibitor  A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
ChEBI Ontology
Outgoing Relation(s)
carfilzomib (CHEBI:65347) has role antineoplastic agent (CHEBI:35610)
carfilzomib (CHEBI:65347) has role proteasome inhibitor (CHEBI:52726)
carfilzomib (CHEBI:65347) is a epoxide (CHEBI:32955)
carfilzomib (CHEBI:65347) is a morpholines (CHEBI:38785)
carfilzomib (CHEBI:65347) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-L-phenylalaninamide
INN  Source
carfilzomibKEGG DRUG
Brand Name  Source
KyprolisChemIDplus
Manual XrefsDatabases
D08880KEGG DRUG
CarfilzomibWikipedia
4483DrugCentral
Registry NumbersSources
Reaxys:12488950Reaxys
CAS:868540-17-4ChemIDplus
CAS:868540-17-4KEGG DRUG
Citations