Compound Identification
SMILES
OC(=O)C[N+]1=C(SC2=C1C=C(Cl)S2)C=C1OC2=C(C=C(C=C2)C2=CC=CC=C2)[N+]11CC1S(O)(=O)=O
InChIKey
InChIKey=PXQOURVGLSPXJY-UHFFFAOYSA-P
Formula
C23H17ClN2O6S3
Mass
549.03
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
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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
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzoxazolines Thienothiazoles 2,3,5-trisubstituted thiophenes Aryl chlorides Benzene and substituted derivatives Thiazoles Sulfonyls Organosulfonic acids Alkanesulfonic acids N-vinylaziridines Heteroaromatic compounds Ketene acetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoxazoline - Thienothiazole - 2,3,5-trisubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Vinylaziridine - N-vinylaziridine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Alkanesulfonic acid - Thiophene - Azole - Thiazole - Sulfonyl - Organosulfonic acid - Ketene acetal or derivatives - Aziridine - Oxacycle - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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