Compound Identification
SMILES
CC1=CC(C[C@H](NC2=CC=CC=C2)C(=O)N[C@@H](COCC2=CC=CC=C2)C#N)=CC=C1
InChIKey
InChIKey=SSNVUEXJJQDRMC-RPBOFIJWSA-N
Formula
C26H27N3O2
Mass
413.521
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
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid amides Amphetamines and derivatives Benzylethers Phenylalkylamines Aniline and substituted anilines Toluenes Secondary alkylarylamines Fatty amides Secondary carboxylic acid amides Nitriles Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Benzylether - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Dialkyl ether - Ether - Nitrile - Carbonitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Amine - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available