Compound Identification
SMILES
COCCCC1=[N+]([O-])C=C(Cl)C(CN(C2CC2)C(=O)C(CN)CC2=CC=C(CCCOC3=C(Cl)C=C(C)C=C3Cl)C=C2)=C1
InChIKey
InChIKey=XDQLMSRLTKRTOW-UHFFFAOYSA-N
Formula
C33H40Cl3N3O4
Mass
649.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Alkyl aryl ethers Aralkylamines Pyridinium derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Azacyclic compounds Dialkyl ethers Organic salts Carbonyl compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aralkylamine - Benzenoid - Aryl chloride - Pyridinium - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic salt - Primary aliphatic amine - Organohalogen compound - Organic oxygen compound - Organochloride - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Organic cation - Aromatic heteromonocyclic 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