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CHEBI:193004 - neoechinulin A

ChEBI IDCHEBI:193004
ChEBI Nameneoechinulin A
Stars
SubmitterAnne Morgat
DownloadsMolfile
FormulaC19H21N3O2
Net Charge0
Average Mass323.396
Monoisotopic Mass323.16338
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1/NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10+/t11-/m0/s1
InChIKeyMYRPIYZIAHOECW-KBVGCWLLSA-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)
neoechinulin A (CHEBI:193004) is a 2,5-diketopiperazines (CHEBI:65061)
Synonym  Source
cyclo-L-2-tert-DMA-Trp-L-Ala Δ10,11SUBMITTER
UniProt Name  Source
neoechinulin AUniProt
Citations