Compound Identification
SMILES
OC(COC1=CC=C(Cl)C=C1)CSC1=NN=C2N(CC(O)=O)C3=CC=CC=C3N12
InChIKey
InChIKey=FWKNZMPDNFLBQX-UHFFFAOYSA-N
Formula
C19H17ClN4O4S
Mass
432.88
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Benzimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Triazoles Heteroaromatic compounds Secondary alcohols Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzimidazole - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - 1,2,4-triazole - Azole - Secondary alcohol - Sulfenyl compound - Carboxylic acid - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Thioether - Alcohol - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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