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CHEBI:212386 - Aspergillamide C

ChEBI IDCHEBI:212386
ChEBI NameAspergillamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N4O4
Net Charge0
Average Mass490.604
Monoisotopic Mass490.25801
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N/C=C\c1cnc2ccccc12
InChIInChI=1S/C28H34N4O4/c1-5-18(2)26(31-19(3)33)28(36)32(4)25(16-20-10-12-22(34)13-11-20)27(35)29-15-14-21-17-30-24-9-7-6-8-23(21)24/h6-15,17-18,25-26,30,34H,5,16H2,1-4H3,(H,29,35)(H,31,33)/b15-14-/t18-,25-,26-/m0/s1
InChIKeyNZRQIPUGMHEHIL-AQFPYVEVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/S1875-5364(19)30017-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aspergillamide C (CHEBI:212386) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,3S)-2-acetamido-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(Z)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxopropan-2-yl]-N,3-dimethylpentanamide