Compound Identification
SMILES
COC1=C(NCC=CC(=O)N2CCN(CC(=O)OC(C)C)CC2)C=C2C(NC3=CC(Br)=CC=C3)=NC=NC2=C1
InChIKey
InChIKey=GPXQOJMSHIEVPZ-UHFFFAOYSA-N
Formula
C28H33BrN6O4
Mass
597.514
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
-
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 Alkyl aryl ethers Aminopyrimidines and derivatives Secondary alkylarylamines Bromobenzenes N-alkylpiperazines Aryl bromides Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid esters Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Quinazolinamine - Quinazoline - Methoxyaniline - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - N-alkylpiperazine - Imidolactam - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - 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