Compound Identification
SMILES
COC1=CC=C(CC(NC(=O)C2=C3OCCN(CC4=CN=CN4CC4=CC=C(C)C=C4)C3=CC=C2)C(N)=O)C=C1
InChIKey
InChIKey=CADMBNUNRPKAAC-UHFFFAOYSA-N
Formula
C31H33N5O4
Mass
539.636
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
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
N-acyl-alpha amino acids and derivatives Amphetamines and derivatives Benzomorpholines Benzoxazines Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Toluenes Alkyl aryl ethers Aralkylamines N-substituted imidazoles Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Benzoxazine - Amphetamine or derivatives - Benzomorpholine - Phenol ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Methoxybenzene - Anisole - Alkyl aryl ether - Aralkylamine - Toluene - N-substituted imidazole - Benzenoid - Fatty amide - Fatty acyl - Oxazinane - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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