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CHEBI:176688 - 2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid

ChEBI IDCHEBI:176688
ChEBI Name2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid
Stars
ASCII Name2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid
DefinitionAn aminoimidazole that is 1H-imidazole substituted by 1-carboxy-2-phenylethyl, cyano(imino)methyl, and amino groups at positions 1, 4 and 5, respectively. It is a chemical intermediate.
Last Modified5 July 2021
Submitterkalra
DownloadsMolfile
FormulaC14H13N5O2
Net Charge0
Average Mass283.291
Monoisotopic Mass283.10692
SMILESN#CC(=N)c1ncn(C(Cc2ccccc2)C(=O)O)c1N
InChIInChI=1S/C14H13N5O2/c15-7-10(16)12-13(17)19(8-18-12)11(14(20)21)6-9-4-2-1-3-5-9/h1-5,8,11,16H,6,17H2,(H,20,21)
InChIKeyUHSVGLPLSMKZDU-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid (CHEBI:176688) is a aminoimidazole (CHEBI:22512)
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid (CHEBI:176688) is a aromatic amine (CHEBI:33860)
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid (CHEBI:176688) is a benzenes (CHEBI:22712)
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid (CHEBI:176688) is a imine (CHEBI:24783)
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid (CHEBI:176688) is a monocarboxylic acid (CHEBI:25384)
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid (CHEBI:176688) is a nitrile (CHEBI:18379)
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid (CHEBI:176688) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid
Synonym  Source
2-[5-amino-4-(cyanomethanimidoyl)-1H-imidazol-1-yl]-3-phenylpropanoic acidIUPAC