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CHEBI:207230 - Biseokeaniamide A

ChEBI IDCHEBI:207230
ChEBI NameBiseokeaniamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H65N7O6S
Net Charge0
Average Mass796.092
Monoisotopic Mass795.47170
SMILESCCCC(=O)N(C)[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/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51)/t31-,32-,33-,36-,37-/m0/s1
InChIKeyXNASEKUWNLNRSN-LMUGUXCZSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (28294609)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Biseokeaniamide A (CHEBI:207230) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[butanoyl(methyl)amino]-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
61708609ChemSpider