Compound Identification
SMILES
CCC1=CC=CC(C)=C1C(=S)NC(CC1=CC=C(NC(=O)C(N)CC2=CN=CC=C2)C=C1)C(=O)OC
InChIKey
InChIKey=OTUHHUNGKVCLIG-UHFFFAOYSA-N
Formula
C28H32N4O3S
Mass
504.65
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
Alpha amino acid esters Alpha amino acid amides Amphetamines and derivatives Anilides N-arylamides Toluenes Aralkylamines Fatty acid esters Pyridines and derivatives Fatty amides Thioamides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Thiocarboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Thiocarbonyl compounds Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Alpha-amino acid amide - Amphetamine or derivatives - Anilide - N-arylamide - Fatty acid ester - Toluene - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Methyl ester - Thioamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid amide - Monocarboxylic acid or derivatives - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Organic oxide - Thiocarbonyl group - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Aromatic heteromonocyclic 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