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CHEBI:176673 - N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine

ChEBI IDCHEBI:176673
ChEBI NameN-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine
Stars
ASCII NameN-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine
DefinitionA phenylalanine derivative that is phenylalanine in which the amino group is substituted by a [(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]amino group. It is a chemical intermediate for nucleotide synthesis.
Last Modified5 July 2021
Submitterkalra
DownloadsMolfile
FormulaC14H13N5O2
Net Charge0
Average Mass283.291
Monoisotopic Mass283.10692
SMILESN#C/C(N)=C(C#N)/N=C/NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H13N5O2/c15-7-11(17)13(8-16)19-9-18-12(14(20)21)6-10-4-2-1-3-5-10/h1-5,9,12H,6,17H2,(H,18,19)(H,20,21)/b13-11-
InChIKeyWWXJFLKNBPEVCZ-QBFSEMIESA-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)
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine (CHEBI:176673) is a benzenes (CHEBI:22712)
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine (CHEBI:176673) is a dinitrile (CHEBI:51308)
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine (CHEBI:176673) is a enamine (CHEBI:47989)
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine (CHEBI:176673) is a imine (CHEBI:24783)
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine (CHEBI:176673) is a monocarboxylic acid (CHEBI:25384)
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine (CHEBI:176673) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine
Synonym  Source
2-[(E)-N'-[(1Z)-2-amino-1,2-dicyanoeth-1-en-1-yl]methanimidamido]-3-phenylpropanoic acidIUPAC
Citations