Compound Identification
SMILES
OC(=O)C(CC(=O)NC1=CC(Cl)=CC=C1)NCCN1CCOCC1
InChIKey
InChIKey=JBIXTTYEQVXTPI-UHFFFAOYSA-N
Formula
C16H22ClN3O4
Mass
355.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Alpha amino acids Anilides N-arylamides Chlorobenzenes Morpholines Fatty amides Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid - Anilide - N-arylamide - Halobenzene - Chlorobenzene - Morpholine - Oxazinane - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid - Tertiary amine - Carboxamide group - Oxacycle - Carboxylic acid - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organooxygen compound - Organohalogen 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