Compound Identification
SMILES
CCN(C(=O)C1=CC=C(Br)C=C1)C1=NC(C(=O)OC)=C(C2C1C1=CC=CC=C1N2CC#CC)C(=O)OC
InChIKey
InChIKey=MPAFIBRPLMCIFQ-UHFFFAOYSA-N
Formula
C28H26BrN3O5
Mass
564.436
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
4-halobenzoic acids and derivatives Indoles and derivatives Benzoyl derivatives Dialkylarylamines Aralkylamines Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Enoate esters Methyl esters Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Indole or derivatives - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary amine - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Amidine - Carboxylic acid amidine - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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