Compound Identification
SMILES
COC1=C(OC)C=C(C=NN2CN(C(CC(N)=O)C(O)=O)C(O)(CCl)N=C2N)C=C1
InChIKey
InChIKey=HSCIKFGITPWEMP-UHFFFAOYSA-N
Formula
C17H23ClN6O6
Mass
442.86
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
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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
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Subclass
Amino acids, peptides, and analogues
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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
Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Aminotriazines 1,3,5-triazines Fatty amides Primary carboxylic acid amides Orthocarboxylic acid derivatives Chlorohydrins Guanidines Alkanolamines Carboxylic acids Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Alkyl chlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Asparagine or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aminotriazine - Monocyclic benzene moiety - Fatty amide - 1,3,5-triazine - Fatty acyl - Triazine - Benzenoid - Carboxamide group - Chlorohydrin - Guanidine - Halohydrin - Orthocarboxylic acid derivative - Primary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkanolamine - Carboxylic acid - Azacycle - Ether - Organooxygen compound - Organic nitrogen compound - Alkyl chloride - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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