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CHEBI:203741 - 15-norlyngbyapeptin A

ChEBI IDCHEBI:203741
ChEBI Name15-norlyngbyapeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H53N5O6S
Net Charge0
Average Mass683.916
Monoisotopic Mass683.37166
SMILESCC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1c1nccs1)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)/C=C(\C)OC
InChIInChI=1S/C36H53N5O6S/c1-10-24(4)32(36(46)41-18-11-12-28(41)33-37-17-19-48-33)40(8)35(45)29(20-23(2)3)39(7)34(44)30(22-26-13-15-27(42)16-14-26)38(6)31(43)21-25(5)47-9/h13-17,19,21,23-24,28-30,32,42H,10-12,18,20,22H2,1-9H3/b25-21+/t24-,28-,29-,30-,32-/m0/s1
InChIKeyIDOJVVBVKWRUSO-CYUNKOHBSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (12762789)
ChEBI Ontology
Outgoing Relation(s)
15-norlyngbyapeptin A (CHEBI:203741) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-methoxybut-2-enoyl]-methylamino]propanoyl]-methylamino]-N,4-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]pentanamide
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