Compound Identification
SMILES
COC(=O)CC(N1CCC(CC1)NC1=NC=NC(NC2=CC(Br)=CC=C2)=C1)C(=O)OC
InChIKey
InChIKey=USRGRGHLWXJWQG-UHFFFAOYSA-N
Formula
C21H26BrN5O4
Mass
492.374
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid 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
Aspartic acid and derivatives
Alternative Parents
Alpha amino acid esters Aniline and substituted anilines Aminopyrimidines and derivatives Bromobenzenes Fatty acid methyl esters Piperidines Aryl bromides Imidolactams Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fatty acid ester - Fatty acid methyl ester - Bromobenzene - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Piperidine - Pyrimidine - Fatty acyl - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available