Compound Identification
SMILES
CCCSC1=NC=C(CO)N1CC1=CC=C(NC(C([O-])=O)C2=CC=CC=C2C)C=C1
InChIKey
InChIKey=QOEIJQWNJNADGG-UHFFFAOYSA-M
Formula
C23H26N3O3S
Mass
424.54
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
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Level 5
Amino acids and derivatives
-
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 Imidazolyl carboxylic acids and derivatives Aniline and substituted anilines Toluenes Secondary alkylarylamines Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Amino acids Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - 1,2,5-trisubstituted-imidazole - Aryl thioether - Imidazolyl carboxylic acid derivative - Phenylalkylamine - Aniline or substituted anilines - Trisubstituted imidazole - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid salt - Amino acid - Organoheterocyclic compound - Azacycle - Thioether - Secondary amine - Sulfenyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Organosulfur compound - Primary alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Organic anion - 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