Compound Identification
SMILES
CC(C)CC(N)C(=O)C1=C(C(=O)C2CCCN2)C(C(=O)C(N)CCC(O)=O)=C(CC(N)C(O)=O)C=C1C(=O)C(N)CC1=CC=C(O)C=C1
InChIKey
InChIKey=BEXUVAPUFWHHFX-UHFFFAOYSA-N
Formula
C34H45N5O9
Mass
667.76
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
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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
Retro-dihydrochalcones Cinnamylphenols Alkyl-phenylketones Gamma amino acids and derivatives Phenylpropanoic acids Butyrophenones Amphetamines and derivatives Alpha amino acids Aryl alkyl ketones Medium-chain fatty acids Benzoyl derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Amino fatty acids Hydroxy fatty acids Heterocyclic fatty acids Branched fatty acids Dicarboxylic acids and derivatives Pyrrolidines Alpha-amino ketones Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Cinnamylphenol - Alkyl-phenylketone - Gamma amino acid or derivatives - 3-phenylpropanoic-acid - Butyrophenone - Alpha-amino acid - Amphetamine or derivatives - Phenylketone - Medium-chain fatty acid - Aryl ketone - Aryl alkyl ketone - Benzoyl - Amino fatty acid - Branched fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Heterocyclic fatty acid - Hydroxy fatty acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Fatty acid - Pyrrolidine - Alpha-aminoketone - Amino acid - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Carbonyl group - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic 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