Compound Identification
SMILES
CCC(C)C(NC(=O)C1=CC(=CC(=N1)C(=O)N1CCCC1CN1CCCCC1)C1=CC(=NC(=C1)C(=O)NCC1=CC=CC=C1Br)C(=O)N1CCCC1CN1CCCCC1)C(O)=O
InChIKey
InChIKey=BTFBJYRDTUSELO-UHFFFAOYSA-N
Formula
C47H61BrN8O6
Mass
913.959
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Isoleucine 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
Isoleucine and derivatives
Alternative Parents
N-acyl-alpha amino acids Bipyridines and oligopyridines Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides N-acylpyrrolidines Bromobenzenes Aryl bromides Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids Secondary carboxylic acid amides Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Bipyridine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - N-acylpyrrolidine - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Piperidine - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available