Compound Identification
SMILES
NC(=O)C[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CS[C@H]1CCC[C@@H]1C(=O)NC1=CC=CC=C1
InChIKey
InChIKey=YLQPKRKPTGRZCW-LJEIBCANSA-N
Formula
C36H39N5O5S
Mass
653.8
Taxonomic Classification
Taxonomy Tree
-
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
-
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-acyl-alpha amino acids and derivatives Quinoline carboxamides Alpha amino acid amides Amphetamines and derivatives Anilides Pyridinecarboxylic acids and derivatives N-arylamides 2-heteroaryl carboxamides N-acyl amines Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Dialkylthioethers Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Amphetamine or derivatives - Quinoline - Pyridine carboxylic acid or derivatives - Anilide - 2-heteroaryl carboxamide - N-arylamide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Fatty amide - N-acyl-amine - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Alcohol - Organopnictogen 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