Compound Identification
SMILES
COC(=O)[C@H](CC1=CC=C(OCC2=C(Cl)C=CC=C2Cl)C=C1)NC(=O)C1=CC=CC(=C1S)C1=CC=C(C)C=C1
InChIKey
InChIKey=CVUCIPZJVGWELU-NDEPHWFRSA-N
Formula
C31H27Cl2NO4S
Mass
580.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
-
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
-
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 N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Biphenyls and derivatives Amphetamines and derivatives O-sulfanylbenzoic acids and derivatives Thiophenols Dichlorobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Fatty acid esters Aryl chlorides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Hydrocarbon derivatives Thiols Organic oxides Organochlorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Biphenyl - Amphetamine or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Thiophenol - Toluene - Chlorobenzene - Alkyl aryl ether - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Monocarboxylic acid or derivatives - Arylthiol - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organooxygen compound - Organonitrogen 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