Compound Identification
SMILES
BrC1=CC=CC(NC2=NC=NC3=C2C=C(OC(=O)C2OC2CN2CCCCC2)C=C3)=C1
InChIKey
InChIKey=XSFOTWOSOINNNH-UHFFFAOYSA-N
Formula
C23H23BrN4O3
Mass
483.366
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives
Direct Parent
Epoxide amino acids and derivatives
Alternative Parents
Quinazolinamines Phenol esters Aniline and substituted anilines Aminopyrimidines and derivatives Bromobenzenes Piperidines Oxirane carboxylic acids Aryl bromides Imidolactams Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epoxide amino acid - Quinazolinamine - Phenol ester - Quinazoline - Aniline or substituted anilines - Halobenzene - Aminopyrimidine - Bromobenzene - Aryl bromide - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Piperidine - Pyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organobromide - Amine - Organic nitrogen compound - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as epoxide amino acids and derivatives. These are sugar amino acids containing an oxirane ring between the carboxy- and the amino terminals of the amino acid chain.
External Descriptors
Not available