Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC1=C(C=C(Cl)C=C1)C(=O)NC(CC1=CC=C(C=C1)C1=CC=C(OC2=CC=CC=C2)C=C1)C(O)=O
InChIKey
InChIKey=TWBGBILVIAUVNQ-UHFFFAOYSA-N
Formula
C39H35ClN2O5
Mass
647.17
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
Benzanilides Diphenylethers Hippuric acids N-acyl-alpha amino acids Biphenyls and derivatives Diarylethers Phenylpropanoic acids Amphetamines and derivatives 3-halobenzoic acids and derivatives Phenylpropanes Phenoxy compounds Benzoyl derivatives Phenol ethers Chlorobenzenes Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Benzanilide - Aromatic anilide - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Hippuric acid - Diphenylether - N-acyl-alpha-amino acid - Biphenyl - 3-phenylpropanoic-acid - Diaryl ether - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Amphetamine or derivatives - Phenylpropane - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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