Compound Identification
SMILES
COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)C(=O)C=CC1=CSC=C1)NC(=O)C1=CC=CC=C1
InChIKey
InChIKey=LOAXWCLZHCTAFK-UHFFFAOYSA-N
Formula
C27H31N3O5S
Mass
509.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Azaspirodecane derivatives N-acylpiperidines Benzoyl derivatives N-acylpyrrolidines Fatty acid esters Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Azaspirodecane - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - N-acylpyrrolidine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Thiophene - Pyrrolidine - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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