Compound Identification
SMILES
COC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N1CCN(CC2=CC=CC(C)=N2)C1=O)C(C)(C)C)CC1=CC=C(C=C1)C1=CC=CC=N1)C(C)(C)C
InChIKey
InChIKey=QVUBAVJBHIZTGJ-KKOUMEGGSA-N
Formula
C46H60N8O6
Mass
821.036
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 Valine 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
Valine and derivatives
Alternative Parents
Phenylpyridines Phenylbutylamines Amphetamines and derivatives Methylpyridines N-acyl amines Imidazolidinones Methylcarbamates Heteroaromatic compounds Secondary carboxylic acid amides Ureas Carboxylic acid hydrazides Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 2-phenylpyridine - Phenylbutylamine - Amphetamine or derivatives - Methylpyridine - Monocyclic benzene moiety - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Pyridine - Benzenoid - Methylcarbamate - Imidazolidine - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid hydrazide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Urea - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available