Compound Identification
SMILES
CC[C@@H](CN1CC[C@H](CNC(=O)\C=C\c2ccc(Cl)cc2)N[C@H](CC(=O)N2CCCCC2)C1=O)c1ccccc1
InChIKey
InChIKey=GGCXLJOJHDJVPN-KRHZXJBRSA-N
Formula
C32H41ClN4O3
Mass
565.16
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
-
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
Cinnamic acid amides Alpha amino acid amides Phenylpropanes N-acylpiperidines Chlorobenzenes 1,4-diazepanes N-acyl amines Tertiary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Asparagine or derivatives - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid amide - Phenylpropane - N-acyl-piperidine - Halobenzene - Diazepane - Chlorobenzene - 1,4-diazepane - Benzenoid - Piperidine - N-acyl-amine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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