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CHEBI:207587 - Simplicilliumtide G

ChEBI IDCHEBI:207587
ChEBI NameSimplicilliumtide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N2O5
Net Charge0
Average Mass350.415
Monoisotopic Mass350.18417
SMILESCC[C@@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H26N2O5/c1-5-11(2)16(19-12(3)21)17(23)20(4)15(18(24)25)10-13-6-8-14(22)9-7-13/h6-9,11,15-16,22H,5,10H2,1-4H3,(H,19,21)(H,24,25)/t11-,15-,16+/m1/s1
InChIKeyQNVPGMVRAOKATO-LYRGGWFBSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - DOI (10.1016/j.tet.2016.04.032)
ChEBI Ontology
Outgoing Relation(s)
Simplicilliumtide G (CHEBI:207587) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(2R)-2-[[(2S,3R)-2-acetamido-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
58196802ChemSpider