Compound Identification
SMILES
CN(C)CCCC1=CC(Cl)=C(CN(C2CC2)C(=O)C(CN)CC2=CC=C(OCCOC3=C(Cl)C=C(C)C=C3Cl)C=C2)C=C1
InChIKey
InChIKey=NGIFILNNHUGMSB-UHFFFAOYSA-N
Formula
C34H42Cl3N3O3
Mass
647.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenylpropylamines Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Aralkylamines Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenylpropylamine - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Ether - Primary aliphatic amine - Organooxygen compound - Primary amine - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available