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(NC(C)=O)=C(F)C=C1
InChIKey
InChIKey=CAPWDKWMNWCRCZ-XFCANUNOSA-N
Formula
C36H41FN6O7S
Mass
720.82
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 O-haloacetanilides Phenylbutylamines Benzenesulfonamides Amphetamines and derivatives N-acetylarylamines Benzenesulfonyl compounds Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Fluorobenzenes Organosulfonamides Aryl fluorides N-acyl amines Acetamides Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - O-haloacetanilide - Haloacetanilide - Phenylbutylamine - Amphetamine or derivatives - Acetanilide - Benzenesulfonamide - Quinoline - N-acetylarylamine - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - Anilide - 2-heteroaryl carboxamide - N-arylamide - Halobenzene - Fluorobenzene - Fatty acyl - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Pyridine - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Sulfonyl - Aminosulfonyl compound - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organofluoride - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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