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CHEBI:188716 - tarazepide

ChEBI IDCHEBI:188716
ChEBI Nametarazepide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24N4O2
Net Charge0
Average Mass448.526
Monoisotopic Mass448.18993
SMILESCN1C(=O)[C@@H](NC(=O)c2cc3cccc4c3n2CCC4)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1
InChIKeyCZPILLBHPRAPCB-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
tarazepide (CHEBI:188716) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
Manual XrefsDatabases
8519100ChemSpider
DB06435DrugBank
D02710KEGG DRUG
Registry NumbersSources
CAS:141374-81-4ChemIDplus