Compound Identification
SMILES
[Br-].[Br-].CC([NH3+])C(=O)NNC1=[NH+]C(=CN=N1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=GTFIEDMQWLEBNB-UHFFFAOYSA-N
Formula
C12H15Br2ClN6O
Mass
454.55
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alanine and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Alanine and derivatives
Alternative Parents
Chlorobenzenes Aryl chlorides 1,2,4-triazines Quaternary ammonium salts Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organochlorides Organic zwitterions Organic oxides Organic bromide salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alanine or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic bromide salt - Carbonyl group - Amine - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available