Compound Identification
SMILES
CCOC(=O)[C@H](CC1=CC=C(OC(=S)N2CCN(CC2)C(C)=O)C=C1)NC(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=CNXBSAVBSSXHNL-QFIPXVFZSA-N
Formula
C25H28ClN3O5S
Mass
518.03
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
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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
Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives 2-halobenzoic acids and derivatives Amphetamines and derivatives Benzoyl derivatives Phenoxy compounds Fatty acid esters Chlorobenzenes Piperazines Aryl chlorides Acetamides Thiocarbamic acid esters Tertiary carboxylic acid amides Vinylogous halides Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - 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 - Benzenoid - Aryl chloride - Aryl halide - Piperazine - 1,4-diazinane - Fatty acyl - Vinylogous halide - Thiocarbamic acid ester - Tertiary carboxylic acid amide - Acetamide - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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