Compound Identification
SMILES
CC1=CC=C(NC(=O)C(CC(N)=O)NC(=O)N(CCCl)N=O)C=C1
InChIKey
InChIKey=FXHACGNUHGNCMD-UHFFFAOYSA-N
Formula
C14H18ClN5O4
Mass
355.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 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
N-carbamoyl-alpha amino acids and derivatives Alpha amino acid amides Anilides N-arylamides Toluenes Nitrosoureas Fatty amides Semicarbazides Nitrosamides Secondary carboxylic acid amides Primary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Asparagine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Anilide - N-arylamide - Toluene - Fatty acyl - Benzenoid - Nitrosourea - Fatty amide - Monocyclic benzene moiety - Nitrosamide - Semicarbazide - Organic n-nitroso compound - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Organic nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic 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