Compound Identification
SMILES
CCC1=CC=CC(C)=C1C(=S)NC(CC1=CC=C(C=C1)N1C(N(C(CC2=CN=CC=C2)C1=O)C(C)=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=BHUBCBKJPGNEJD-UHFFFAOYSA-N
Formula
C36H36N4O4S
Mass
620.77
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
Phenylimidazolidines Phenylpropanoic acids Amphetamines and derivatives Toluenes Imidazolidinones Pyridines and derivatives Acetamides Heteroaromatic compounds Thioamides Tertiary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Thiocarboxylic acid amides Carboxylic acids Azacyclic compounds Thiocarbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Phenylimidazolidine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Toluene - Monocyclic benzene moiety - Imidazolidinone - Pyridine - Benzenoid - Heteroaromatic compound - Acetamide - Imidazolidine - Thioamide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Thiocarbonyl group - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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