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

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ChEBI Name 2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid
ChEBI ID CHEBI:176688
ChEBI ASCII Name 2-{5-amino-4-[cyano(imino)methyl]-1H-imidazol-1-yl}-3-phenylpropanoic acid
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kalra
Supplier Information
Download Molfile XML SDF
Formula C14H13N5O2
Net Charge 0
Average Mass 283.291
Monoisotopic Mass 283.10692
InChI InChI=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)
InChIKey UHSVGLPLSMKZDU-UHFFFAOYSA-N
SMILES NC1=C(N=CN1C(CC1=CC=CC=C1)C(O)=O)C(=N)C#N
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acid IUPAC
Last Modified
05 July 2021