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CHEBI:182365 - 2-acetamido-3-(4-oxo-1H-cyclohepta[b]pyrrol-3-yl)propanoic acid

ChEBI IDCHEBI:182365
ChEBI Name2-acetamido-3-(4-oxo-1H-cyclohepta[b]pyrrol-3-yl)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14N2O4
Net Charge0
Average Mass274.276
Monoisotopic Mass274.09536
SMILESCC(=O)NC(Cc1cnc2ccccc(=O)c12)C(=O)O
InChIInChI=1S/C14H14N2O4/c1-8(17)16-11(14(19)20)6-9-7-15-10-4-2-3-5-12(18)13(9)10/h2-5,7,11,15H,6H2,1H3,(H,16,17)(H,19,20)
InChIKeyBNQKFYXFHDIERD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-acetamido-3-(4-oxo-1H-cyclohepta[b]pyrrol-3-yl)propanoic acid (CHEBI:182365) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-acetamido-3-(4-oxo-1H-cyclohepta[b]pyrrol-3-yl)propanoic acid
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