Compound Identification
SMILES
COC1=CC=CC=C1NC(C)C(=O)NN\C=C1\C=C(Br)C(=O)C(OC)=C1
InChIKey
InChIKey=BMJZDVHZTVDSEN-BENRWUELSA-N
Formula
C18H20BrN3O4
Mass
422.279
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
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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
Aminophenyl ethers Methoxyanilines Anisoles Methoxybenzenes P-quinomethanes Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Alkyl aryl ethers Alpha-haloketones Carboxylic acid hydrazides Vinyl bromides Bromoalkenes Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alanine or derivatives - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Quinomethane - Phenol ether - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - P-quinomethane - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Cyclic ketone - Carboxylic acid hydrazide - Ketone - Ether - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Secondary amine - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic homomonocyclic 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