Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CNCC1=CC2=C(C=C1)N(C)C(=O)N(C2=O)C1=CC=C(C[C@H](NC(=O)C2=C(Cl)C=CC=C2Cl)C(=O)OC(C)C)C=C1
InChIKey
InChIKey=WLKJPELNJHVEGQ-GCCVQAHUSA-N
Formula
C34H34Cl2N4O9
Mass
713.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives 2-halobenzoic acids and derivatives Amphetamines and derivatives Quinazolines Benzoyl derivatives Dichlorobenzenes Aralkylamines Pyrimidones Fatty acid esters Unsaturated fatty acids Aryl chlorides Dicarboxylic acids and derivatives Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Lactams Ureas Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Quinazoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Fatty acid ester - Pyrimidone - Chlorobenzene - Aralkylamine - Unsaturated fatty acid - Fatty acid - Aryl halide - Fatty acyl - Aryl chloride - Pyrimidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Urea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Secondary aliphatic amine - Secondary amine - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - 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