Compound Identification
SMILES
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCC1=C(Br)C=C2NC(C)=NC(=O)C2=C1)C(O)=O)C(C)(C)C
InChIKey
InChIKey=RCBUENQYIUKJBW-LSTHTHJFSA-N
Formula
C25H35BrN4O6
Mass
567.481
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Valine and derivatives Alpha amino acid amides Quinazolines Medium-chain fatty acids Pyrimidones Branched fatty acids Halogenated fatty acids Heterocyclic fatty acids Aryl bromides Benzenoids N-acyl amines Monosaccharides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Organobromides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Quinazoline - Medium-chain fatty acid - Halogenated fatty acid - Pyrimidone - Heterocyclic fatty acid - Branched fatty acid - Fatty amide - Monosaccharide - Benzenoid - Aryl halide - Pyrimidine - Fatty acid - Fatty acyl - N-acyl-amine - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available