Compound Identification
SMILES
CCCC[C@@H](NC(=O)[C@H](N)CC1=C(Br)NC2=CC=CC=C12)C(=O)OC(C)(C)C
InChIKey
InChIKey=XBPFBYDNUDXDGI-NVXWUHKLSA-N
Formula
C21H30BrN3O3
Mass
452.393
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Not available
Direct Parent
Peptides
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Aralkylamines Fatty acid esters Substituted pyrroles Aryl bromides Benzenoids Fatty amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organobromides Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Aralkylamine - Fatty acid ester - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Fatty amide - Fatty acyl - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organooxygen compound - Primary amine - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
Not available