Compound Identification
SMILES
CC1=CC=CC(=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC1=CC2=C(C=C1)C(Cl)=C(OCCBr)OC2=O
InChIKey
InChIKey=KPALYBSAMQJRGQ-QHCPKHFHSA-N
Formula
C28H24BrClN2O5
Mass
583.86
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
-
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
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Isocoumarins and derivatives 2-benzopyrans Amphetamines and derivatives m-Toluamides N-arylamides Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Fatty amides Heteroaromatic compounds Lactones Secondary carboxylic acid amides Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl bromides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Isocoumarin - Amphetamine or derivatives - Benzopyran - 2-benzopyran - M-toluamide - Toluamide - Benzoic acid or derivatives - Benzamide - Benzoyl - N-arylamide - Toluene - Pyranone - Alkyl aryl ether - Pyran - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Fatty amide - Aryl chloride - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl bromide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Alkyl halide - 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