Compound Identification
SMILES
OC(=O)C[N+]1=C(SC2=C1SC(Cl)=C2)C=C1SC2=C(C=C(Br)C=C2)[N+]11CCC1S(O)(=O)=O
InChIKey
InChIKey=LAYKQYSVYCSOGV-UHFFFAOYSA-P
Formula
C18H14BrClN2O5S4
Mass
581.91
Taxonomic Classification
Taxonomy Tree
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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
- 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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzothiazoles Thienothiazoles Aryl thioethers 2,3,5-trisubstituted thiophenes Aryl bromides Aryl chlorides Benzenoids Alkanesulfonic acids Heteroaromatic compounds Organosulfonic acids Sulfonyls Thiazoles Azetidines Ketene acetals Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Thienothiazole - 2,3,5-trisubstituted thiophene - Aryl halide - Benzenoid - Aryl chloride - Aryl bromide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Thiophene - Thiazole - Azetidine - Ketene acetal or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organobromide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available