Compound Identification
SMILES
[Br-].CC(=O)N(N1C(=O)N(C(=O)C2=C1C=C(Cl)C=C2)S(=O)(=O)C1=CC=C(Cl)C=C1)C1=C[N+](CC(=O)OC(C)(C)C)=CC=C1
InChIKey
InChIKey=ZYHWRLQQJDREPZ-UHFFFAOYSA-M
Formula
C27H25BrCl2N4O7S
Mass
700.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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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
Alpha amino acid esters
Alternative Parents
Quinazolines Benzenesulfonamides Benzenesulfonyl compounds Pyrimidones Chlorobenzenes Pyridinium derivatives Aryl chlorides Vinylogous amides Sulfonyls Organosulfonic acids and derivatives Acetamides Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic bromide salts Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Quinazoline - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Pyrimidine - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Acetamide - Vinylogous amide - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic bromide salt - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available