Compound Identification
SMILES
COC1=CC(Br)=C\C(=C\NNC(=O)C(C)NC2=CC=CC3=CC=CC=C23)C1=O
InChIKey
InChIKey=LQJCQXXXPVFBQF-QINSGFPZSA-N
Formula
C21H20BrN3O3
Mass
442.313
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
Naphthalenes O-quinomethanes Secondary alkylarylamines Vinylogous amides Carboxylic acid hydrazides Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alanine or derivatives - Naphthalene - O-quinomethane - Quinomethane - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Carboxylic acid hydrazide - Ketone - Cyclic ketone - Bromoalkene - Haloalkene - Secondary amine - Vinyl bromide - Vinyl halide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic 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