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CHEBI:193010 - isoechinulin A

ChEBI IDCHEBI:193010
ChEBI Nameisoechinulin A
Stars
SubmitterAnne Morgat
DownloadsMolfile
FormulaC24H29N3O2
Net Charge0
Average Mass391.515
Monoisotopic Mass391.22598
SMILESC=CC(C)(C)c1nc2ccc(CC=C(C)C)cc2c1/C=C1/NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C24H29N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-13,15,26H,1,9H2,2-6H3,(H,25,29)(H,27,28)/b20-13+/t15-/m0/s1
InChIKeyZHKHUDVCZTVZPU-NPRIEWAGSA-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)
isoechinulin A (CHEBI:193010) is a 2,5-diketopiperazines (CHEBI:65061)
UniProt Name  Source
isoechinulin AUniProt
Citations