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)CN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=VLACGZZLFKLMGV-DHWXLLNHSA-N
Formula
C38H36F3N5O6S
Mass
747.79
Taxonomic Classification
Taxonomy Tree
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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
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Level 5
Amino acids and derivatives
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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
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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 Trifluoromethylbenzenes Amphetamines and derivatives Benzenesulfonamides Pyridinecarboxylic acids and derivatives Benzenesulfonyl compounds 2-heteroaryl carboxamides Organosulfonamides N-acyl amines Aminosulfonyl compounds Heteroaromatic compounds Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides 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 - Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Trifluoromethylbenzene - Quinoline - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyridine - Fatty acyl - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - 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