Compound Identification
SMILES
COC(=O)C1CN(CC(C)C1=O)C(=O)OC1=CC=C(C[C@H](NC(=O)C2=CC=CC=C2Cl)C(O)=O)C=C1
InChIKey
InChIKey=QOYPJSQCTZXHFK-OQRDJCCKSA-N
Formula
C25H25ClN2O8
Mass
516.93
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 Piperidinecarboxylic acids Phenoxy compounds Benzoyl derivatives Piperidinones Chlorobenzenes 1,3-dicarbonyl compounds Aryl chlorides Dicarboxylic acids and derivatives Vinylogous halides Carbamate esters Methyl esters Secondary carboxylic acid amides Cyclic ketones Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Piperidinecarboxylic acid - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Piperidinone - Chlorobenzene - Halobenzene - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Aryl halide - Piperidine - Aryl chloride - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous halide - Methyl ester - Carbamic acid ester - Ketone - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organohalogen 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