Compound Identification
SMILES
CC(C)N(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)NC(=O)C1=CC=CC=C1NC(=O)OCC1=CC=CC=N1
InChIKey
InChIKey=ITXXVCJPRFJCRC-QGBCWPEESA-N
Formula
C41H44N8O7
Mass
760.852
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 Phenylcarbamic acid esters Amphetamines and derivatives Pyridinecarboxylic acids and derivatives Benzoic acids and derivatives 2-heteroaryl carboxamides Benzoyl derivatives N-acyl amines Vinylogous amides Heteroaromatic compounds Carbamate esters Primary carboxylic acid amides Secondary alcohols Organic carbonic acids and derivatives Secondary carboxylic acid amides Carboxylic acid hydrazides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds 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 - Phenylcarbamic acid ester - Phenylbutylamine - Amphetamine or derivatives - Quinoline - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyridine - Fatty acyl - Benzenoid - Vinylogous amide - Carbamic acid ester - Heteroaromatic compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Carbonic acid derivative - Carboxamide group - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen 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