Compound Identification
SMILES
[Na+].CCCSC1=NC=C(CO)N1CC1=CC=C(NC(C([O-])=O)C2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=QPFTZLGAISJRRF-UHFFFAOYSA-M
Formula
C22H23ClN3NaO3S
Mass
467.94
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 acids
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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
Alpha amino acids
Alternative Parents
1,2,5-trisubstituted imidazoles Phenylalkylamines Aniline and substituted anilines Imidazolyl carboxylic acids and derivatives Secondary alkylarylamines Alkylarylthioethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Carboxylic acid salts Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Organic metal halides Carboxylic acids Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Aromatic alcohols Organic sodium salts Organic zwitterions Organochlorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - 1,2,5-trisubstituted-imidazole - Aryl thioether - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aralkylamine - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Carboxylic acid salt - Amino acid - Organoheterocyclic compound - Organic metal halide - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Sulfenyl compound - Azacycle - Organic alkali metal salt - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Organosulfur compound - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic alcohol - Organic zwitterion - Hydrocarbon derivative - Organic sodium salt - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available