Compound Identification
SMILES
CC(C)C(N)C(=O)N1CCN(CC1)C1=CC=C(NC2=NC=C3C=CC(NC(=O)NC4CCCCC4)=NC3=N2)C=C1
InChIKey
InChIKey=GFUIAAHVXBLQBC-UHFFFAOYSA-N
Formula
C29H39N9O2
Mass
545.692
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
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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 Phenylpiperazines N-arylpiperazines Pyrido[2,3-d]pyrimidines Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Urea - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organic oxide - 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