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CHEBI:201623 - Cyclo-[isoleucyl-prolyl-leucyl-alanyl]

Default Structure
ChEBI IDCHEBI:201623
ChEBI NameCyclo-[isoleucyl-prolyl-leucyl-alanyl]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34N4O4
Net Charge0
Average Mass394.516
Monoisotopic Mass394.25801
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C20H34N4O4/c1-6-12(4)16-19(27)21-13(5)17(25)22-14(10-11(2)3)20(28)24-9-7-8-15(24)18(26)23-16/h11-16H,6-10H2,1-5H3,(H,21,27)(H,22,25)(H,23,26)/t12-,13-,14-,15-,16-/m0/s1
InChIKeyDDXULJFDBNIPEQ-QXKUPLGCSA-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-[isoleucyl-prolyl-leucyl-alanyl] (CHEBI:201623) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S)-9-[(2S)-butan-2-yl]-6-methyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Manual XrefsDatabases
78439630ChemSpider