Compound Identification
SMILES
CCOC(=O)C(CCSC)NC(=O)OC1=CC=C(C[C@H](NC(=O)C2=CC=CC=C2Cl)C(O)=O)C=C1
InChIKey
InChIKey=JSFFHEUZIJWQCI-ANYOKISRSA-N
Formula
C24H27ClN2O7S
Mass
523.0
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
Methionine and derivatives Hippuric acids N-acyl-alpha amino acids Alpha amino acid esters Phenylpropanoic acids Amphetamines and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Phenoxy compounds Fatty acid esters Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous halides Carbamate esters Carboxylic acid esters Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Methionine or derivatives - Alpha-amino acid ester - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Chlorobenzene - Fatty acid ester - Halobenzene - Monocyclic benzene moiety - Aryl chloride - Fatty acyl - Dicarboxylic acid or derivatives - Aryl halide - Benzenoid - Carbamic acid ester - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid - Thioether - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - 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