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CHEBI:189134 - N-Benzyl-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide

ChEBI IDCHEBI:189134
ChEBI NameN-Benzyl-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N6O2
Net Charge0
Average Mass410.522
Monoisotopic Mass410.24302
SMILES[H][C@@]12CCN(Cc3nccn3)[C@]1([H])C(=O)NC[C@H](CCC(=O)NCc1ccccc1)N2C
InChIInChI=1S/C22H30N6O2/c1-27-17(7-8-20(29)25-13-16-5-3-2-4-6-16)14-26-22(30)21-18(27)9-12-28(21)15-19-23-10-11-24-19/h2-6,10-11,17-18,21H,7-9,12-15H2,1H3,(H,23,24)(H,25,29)(H,26,30)/t17-,18+,21-/m0/s1
InChIKeyJCDGJSWLIWZPEN-UEXGIBASSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
N-Benzyl-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide (CHEBI:189134) is a diazepine (CHEBI:47918)
IUPAC Name 
3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-2-yl]-N-benzylpropanamide
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