Compound Identification
SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=CS1
InChIKey
InChIKey=OOUIBTAUUWLUGP-RBLSKBOASA-N
Formula
C35H46N6O5S
Mass
662.85
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
-
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 Pyridinecarboxylic acids and derivatives Piperidinecarboxamides 2-heteroaryl carboxamides Aralkylamines Benzenoids N-acyl amines Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides 1,2-aminoalcohols Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Quinoline - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aralkylamine - Fatty amide - N-acyl-amine - Piperidine - Pyridine - Fatty acyl - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - 1,2-aminoalcohol - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alcohol - 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