Compound Identification
SMILES
N[C@H](CC(=O)N[C@H]1[C@@H](CC2=CC=CC=C12)NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C(N)=O
InChIKey
InChIKey=ZFNOIXQHQDVNRZ-PBFPGSCMSA-N
Formula
C20H20ClN5O3S
Mass
445.92
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine 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
Asparagine and derivatives
Alternative Parents
Alpha amino acid amides Indanes Thienopyrroles Pyrrole carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Substituted pyrroles N-acyl amines Aryl chlorides Heteroaromatic compounds Azoles Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Organochlorides Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid amide - Indane - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - 2,3,5-trisubstituted thiophene - Fatty acyl - Benzenoid - Aryl halide - Aryl chloride - Substituted pyrrole - Fatty amide - N-acyl-amine - Heteroaromatic compound - Thiophene - Azole - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Primary amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available