Compound Identification
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1)S(=O)(=O)C1=CC=C(S1)C1=CC=CC=N1
InChIKey
InChIKey=IYQIVGLJZGRJDP-OWHBQTKESA-N
Formula
C37H40N6O6S2
Mass
728.88
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
-
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 Phenylbutylamines Amphetamines and derivatives Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Organosulfonamides N-acyl amines Aminosulfonyl compounds Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - Quinoline-2-carboxamide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Quinoline - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Fatty amide - Pyridine - N-acyl-amine - Organosulfonic acid amide - Benzenoid - Fatty acyl - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen 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