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CHEBI:207242 - Biseokeaniamide C

ChEBI IDCHEBI:207242
ChEBI NameBiseokeaniamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H63N7O6S
Net Charge0
Average Mass782.065
Monoisotopic Mass781.45605
SMILESCCCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N(C)Cc1nccs1)C(C)C)C(C)C
InChIInChI=1S/C41H63N7O6S/c1-11-16-33(49)44-35(27(4)5)40(53)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)37(50)43-30(23-26(2)3)38(51)47(10)36(28(6)7)41(54)45(8)25-34-42-20-22-55-34/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,50)(H,44,49)/t30-,31-,32-,35-,36-/m0/s1
InChIKeyYUSHRJINPQIDME-XGQIDOAOSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (28294609)
ChEBI Ontology
Outgoing Relation(s)
Biseokeaniamide C (CHEBI:207242) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(2S)-1-[(2S)-2-(butanoylamino)-3-methylbutanoyl]-N-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
61708611ChemSpider