Compound Identification
SMILES
C[C@@H](NC(=O)CNC(=O)NC1=CC=C(C=C1)C(N)=N)C1=CC(Br)=CC=C1
InChIKey
InChIKey=YSFQAQOMUCVTNV-LLVKDONJSA-N
Formula
C18H20BrN5O2
Mass
418.295
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- 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
N-carbamoyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides N-phenylureas Bromobenzenes Aryl bromides Ureas Secondary carboxylic acid amides Carboximidamides Carboxamidines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-phenylurea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Amidine - Carboximidamide - Carboxylic acid amidine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors
Not available