Compound Identification
SMILES
NC(=O)NCCCOC1=CC=C(C[C@H](NC(=O)C2=C(Cl)C=CC=C2Cl)C(O)=O)C=C1
InChIKey
InChIKey=XTNCVSRPUAXOII-INIZCTEOSA-N
Formula
C20H21Cl2N3O5
Mass
454.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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
N-acyl-alpha amino acids Hippuric acids Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Ureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organonitrogen compounds Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Hippuric acid - 3-phenylpropanoic-acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Vinylogous halide - Urea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen 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