Compound Identification
SMILES
OC(=O)C(F)(F)F.CC(C)[C@H](N)C(=O)O[C@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1
InChIKey
InChIKey=UXKABYGFWKITCX-IYNDCVTHSA-N
Formula
C45H60F3N7O8
Mass
884.011
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
Valine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Quinoline carboxamides Alpha amino acid amides Phenylbutylamines Amphetamines and derivatives Pyridinecarboxylic acids and derivatives Piperidinecarboxamides 2-heteroaryl carboxamides Fatty acid esters Aralkylamines N-acyl amines Alpha-halocarboxylic acids Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organofluorides Alkyl fluorides Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
Asparagine or derivatives - Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Quinoline - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Piperidine - Benzenoid - Pyridine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Organic oxide - Primary amine - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Organooxygen 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