Compound Identification
SMILES
CC1=CC(C)=C(C(=O)NC(CC2=CC=C(C=C2)N2C=CC(CNC3=NC4=CC=CC=C4N3)=C2)C(O)=O)C(C)=C1
InChIKey
InChIKey=LQUGQXTZOUBLCZ-UHFFFAOYSA-N
Formula
C31H31N5O3
Mass
521.621
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine 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
Phenylalanine and derivatives
Alternative Parents
Hippuric acids N-acyl-alpha amino acids Phenylpyrroles Phenylpropanoic acids Amphetamines and derivatives Benzimidazoles Benzoyl derivatives Aminoimidazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - 1-phenylpyrrole - Amphetamine or derivatives - Benzamide - Benzimidazole - Benzoic acid or derivatives - Benzoyl - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aminoimidazole - Pyrrole - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available