Compound Identification
SMILES
CC(C)C(N)C(=O)N1CCN(CC2COc3ccccc3O2)CC1
InChIKey
InChIKey=WEWDTZHKJXXZEZ-UHFFFAOYSA-N
Formula
C18H27N3O3
Mass
333.432
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 Benzo-1,4-dioxanes N-alkylpiperazines Alkyl aryl ethers Para dioxins Benzenoids Tertiary carboxylic acid amides Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Benzo-1,4-dioxane - Benzodioxane - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Para-dioxin - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Amine - Primary amine - 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