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CHEBI:212946 - Dragonamide E

ChEBI IDCHEBI:212946
ChEBI NameDragonamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57N5O5
Net Charge0
Average Mass651.893
Monoisotopic Mass651.43597
SMILESC#CCCC/C=C(\C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C37H57N5O5/c1-13-14-15-17-20-27(8)34(44)40(10)31(25(4)5)36(46)42(12)32(26(6)7)37(47)41(11)30(24(2)3)35(45)39(9)29(33(38)43)23-28-21-18-16-19-22-28/h1,16,18-22,24-26,29-32H,14-15,17,23H2,2-12H3,(H2,38,43)/b27-20+/t29-,30-,31-,32-/m0/s1
InChIKeyCWZFOUVOKBTZQE-BWDCGURESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (20030365)
ChEBI Ontology
Outgoing Relation(s)
Dragonamide E (CHEBI:212946) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(E)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,2-dimethyloct-2-en-7-ynamide
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24683055ChemSpider