Compound Identification
SMILES
COC1=CC=CC=C1C1=NOC(=O)N1C1=CC=CC(=C1)C(F)(F)F.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1
InChIKey
InChIKey=ZZBVEZXJRYYUAJ-YOXDLBRISA-N
Formula
C54H61F3N8O8
Mass
1007.125
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
-
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 Phenyloxadiazoles Trifluoromethylbenzenes Amphetamines and derivatives Pyridinecarboxylic acids and derivatives Piperidinecarboxamides 2-heteroaryl carboxamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines N-acyl amines Heteroaromatic compounds 1,2-aminoalcohols Primary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Oxacyclic compounds Organofluorides Alkyl fluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Asparagine or derivatives - Quinoline-2-carboxamide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - Phenyl-1,2,4-oxadiazole - Quinoline - Amphetamine or derivatives - Trifluoromethylbenzene - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Methoxybenzene - 2-heteroaryl carboxamide - Anisole - Alkyl aryl ether - Aralkylamine - Fatty amide - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - Pyridine - Piperidine - Fatty acyl - Azole - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Alcohol - Organonitrogen 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