Compound Identification
SMILES
CC(O)=O.BrC1=CC=C(NC2C(=O)NC(=O)NC2=O)C=C1
InChIKey
InChIKey=GGSPMLYRJFADIR-UHFFFAOYSA-N
Formula
C12H12BrN3O5
Mass
358.148
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
Barbituric acid derivatives Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines N-acyl ureas Bromobenzenes 1,3-dicarbonyl compounds Aryl bromides Diazinanes Dicarboximides Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Alpha-amino acid or derivatives - Barbiturate - Phenylalkylamine - Aniline or substituted anilines - N-acyl urea - Halobenzene - Pyrimidone - Bromobenzene - Secondary aliphatic/aromatic amine - Ureide - Aryl bromide - Aryl halide - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - 1,3-diazinane - Monocyclic benzene moiety - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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