Compound Identification
SMILES
NC1=NC(=O)\C(N1)=C\C1=CNC2=C1C=C(Br)C=C2
InChIKey
InChIKey=YTYPKXGCVRKLLN-KMKOMSMNSA-N
Formula
C12H9BrN4O
Mass
305.135
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Indoles Substituted pyrroles Aryl bromides Imidazolinones Benzenoids Heteroaromatic compounds N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Imidazolinone - Benzenoid - Substituted pyrrole - Heteroaromatic compound - 2-imidazoline - Pyrrole - Guanidine - N-acylimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available