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CHEBI:206730 - Miyakamide A2

ChEBI IDCHEBI:206730
ChEBI NameMiyakamide A2
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FormulaC31H32N4O3
Net Charge0
Average Mass508.622
Monoisotopic Mass508.24744
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N/C=C/c1cnc2ccccc12
InChIInChI=1S/C31H32N4O3/c1-22(36)34-28(19-23-11-5-3-6-12-23)31(38)35(2)29(20-24-13-7-4-8-14-24)30(37)32-18-17-25-21-33-27-16-10-9-15-26(25)27/h3-18,21,28-29,33H,19-20H2,1-2H3,(H,32,37)(H,34,36)/b18-17+/t28-,29-/m0/s1
InChIKeyNNICSBNBJLZHOU-LBBURDNXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (12546416)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Miyakamide A2 (CHEBI:206730) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
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9050142ChemSpider