Compound Identification
SMILES
CCNCCNC(CC(O)=O)C(=O)NC1=CC=C(Br)C=C1
InChIKey
InChIKey=ANRZGSZTRFXLKF-UHFFFAOYSA-N
Formula
C14H20BrN3O3
Mass
358.236
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 Aspartic acid and derivatives
-
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
Aspartic acid and derivatives
Alternative Parents
Alpha amino acid amides Anilides N-arylamides Bromobenzenes Fatty amides Aryl bromides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid amide - Anilide - N-arylamide - Halobenzene - Bromobenzene - Fatty amide - Aryl bromide - Aryl halide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Monocarboxylic acid or derivatives - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available