Compound Identification
SMILES
COC(=O)N[C@H](C(=O)N[C@@H](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=WJILIXMNUDOMRN-YPINIOOUSA-N
Formula
C47H61N7O6
Mass
820.048
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
Alpha amino acid amides Phenylpyridines Amphetamines and derivatives Methylpyridines Imidazolidinones N-acyl amines Heteroaromatic compounds Methylcarbamates Tertiary amines Secondary carboxylic acid amides Ureas Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - 2-phenylpyridine - Amphetamine or derivatives - Methylpyridine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Imidazolidinone - Benzenoid - N-acyl-amine - Pyridine - Methylcarbamate - Heteroaromatic compound - Imidazolidine - Carbamic acid ester - Carboxamide group - Urea - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen 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