Compound Identification
SMILES
COC1=C(NCC=CC(=O)N(C)CC(=O)OC2CCCCC2)C=C2C(NC3=CC(Br)=CC=C3)=NC=NC2=C1
InChIKey
InChIKey=ARQSAMXOIHCPQZ-UHFFFAOYSA-N
Formula
C28H32BrN5O4
Mass
582.499
Taxonomic Classification
Taxonomy Tree
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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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Quinazolinamines Methoxyanilines Anisoles Secondary alkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes N-acyl amines Imidolactams Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organobromides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Quinazolinamine - Quinazoline - Methoxyaniline - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-acyl-amine - Pyrimidine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organobromide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available