Compound Identification
SMILES
CCCS(=O)(=O)C1=CC(NC(CC2=CC=C(NC(=O)C3=C(Cl)C=NC=C3Cl)C=C2)C(O)=O)=NC=C1C(O)=O
InChIKey
InChIKey=XCLDXSMMDXCIPV-UHFFFAOYSA-N
Formula
C24H22Cl2N4O7S
Mass
581.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Aromatic anilides Phenylpropanoic acids Amphetamines and derivatives Pyridinecarboxylic acids Polyhalopyridines Aminopyridines and derivatives Aryl chlorides Imidolactams Vinylogous halides Heteroaromatic compounds Sulfones Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Aromatic anilide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Polyhalopyridine - Aminopyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyridine - Benzenoid - Imidolactam - Sulfone - Sulfonyl - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organoheterocyclic compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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