Compound Identification
SMILES
Cl.CC(C)[C@H](NC1=NC(=NC2=C1OC1=CC=CC=C21)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=MADZNOPFFXMSQV-NTISSMGPSA-N
Formula
C21H20ClN3O3
Mass
397.86
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
L-alpha-amino acids Benzofurans Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Furans Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - L-alpha-amino acid - Benzofuran - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Furan - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic 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