Compound Identification
SMILES
CN(C)C(=O)C1=CC=C(C=C1)C(=O)N[C@@H](COC1=CC=CC(=C1)C#N)CC(O)=O
InChIKey
InChIKey=ZCVZKSQUHQQPIS-QGZVFWFLSA-N
Formula
C21H21N3O5
Mass
395.415
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
Benzamides Benzonitriles Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Amino acids Secondary carboxylic acid amides Tertiary amines Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Carboxamide group - Nitrile - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Cyanide - Amine - Organooxygen compound - Organic oxygen compound - Organic nitrogen 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