Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NCCC(=O)NN=CC1=CC(OC)=C(OCC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=FMVJIDGGRBZIIW-UHFFFAOYSA-N
Formula
C27H26N4O5
Mass
486.528
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
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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 Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzonitriles Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Ether - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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