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CHEBI:198173 - Cyclo(Pro-Phe-Pro-Phe)

ChEBI IDCHEBI:198173
ChEBI NameCyclo(Pro-Phe-Pro-Phe)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32N4O4
Net Charge0
Average Mass488.588
Monoisotopic Mass488.24236
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C28H32N4O4/c33-25-23-13-8-16-32(23)28(36)22(18-20-11-5-2-6-12-20)30-26(34)24-14-7-15-31(24)27(35)21(29-25)17-19-9-3-1-4-10-19/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,33)(H,30,34)/t21-,22-,23-,24-/m0/s1
InChIKeyQLPBAXRSKZBNQY-ZJZGAYNASA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies (ncbitaxon:306) - DOI (10.1016/j.tet.2008.01.089)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclo(Pro-Phe-Pro-Phe) (CHEBI:198173) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,12S,15S)-3,12-dibenzyl-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
Manual XrefsDatabases
78439577ChemSpider