Compound Identification
SMILES
COC1=NC(OC)=NC(N[C@@H](CC2=CC=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=C2)C(O)=O)=N1
InChIKey
InChIKey=GRRKLBLJPILSFT-HNNXBMFYSA-N
Formula
C21H19Cl2N5O5
Mass
492.31
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
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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 Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids 2-halobenzoic acids and derivatives Benzamides 2-methoxy-1,3,5-triazines Dichlorobenzenes Benzoyl derivatives N-aliphatic s-triazines Alkyl aryl ethers Secondary alkylarylamines Aryl chlorides Vinylogous halides Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Benzanilide - Aromatic anilide - 3-phenylpropanoic-acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Amphetamine or derivatives - L-alpha-amino acid - Benzamide - Benzoic acid or derivatives - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aminotriazine - Amino-1,3,5-triazine - Alkyl aryl ether - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Secondary amine - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid - Organoheterocyclic compound - Organochloride - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - 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