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CHEBI:216522 - Simplicilliumtide H

ChEBI IDCHEBI:216522
ChEBI NameSimplicilliumtide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N2O4
Net Charge0
Average Mass334.416
Monoisotopic Mass334.18926
SMILESCC[C@@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-5-12(2)16(19-13(3)21)17(22)20(4)15(18(23)24)11-14-9-7-6-8-10-14/h6-10,12,15-16H,5,11H2,1-4H3,(H,19,21)(H,23,24)/t12-,15-,16+/m1/s1
InChIKeyZXUQSKOTCGZCHH-WQVCFCJDSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - DOI (10.1016/j.tet.2016.04.032)
ChEBI Ontology
Outgoing Relation(s)
Simplicilliumtide H (CHEBI:216522) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2R)-2-[[(2S,3R)-2-acetamido-3-methylpentanoyl]-methylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
58196803ChemSpider