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CHEBI:188567 - Belnacasan

ChEBI IDCHEBI:188567
ChEBI NameBelnacasan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33ClN4O6
Net Charge0
Average Mass509.003
Monoisotopic Mass508.20886
SMILESCCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1
InChIKeySJDDOCKBXFJEJB-MOKWFATOSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Belnacasan (CHEBI:188567) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
D10416KEGG DRUG
9572992ChemSpider
Registry NumbersSources
CAS:273404-37-8ChemIDplus