Compound Identification
SMILES
COC1=CC(C(=O)N[C@@H]2C=C(C[C@@H](O)[C@@H]2O)C(=O)N[C@H](CC(C)C)C(N)=O)=C(Br)C=C1
InChIKey
InChIKey=WEGUKTJLERYARR-BRSBDYLESA-N
Formula
C21H28BrN3O6
Mass
498.374
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
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Leucine 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
Leucine and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives 2-halobenzoic acids and derivatives Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Fatty amides Aryl bromides Vinylogous halides Secondary alcohols Secondary carboxylic acid amides 1,2-diols Primary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Vinylogous halide - Secondary alcohol - 1,2-diol - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Ether - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available