Compound Identification
SMILES
CC1=C(C2=CC=C(Cl)S2)C(=O)N(CO1)C(C)(C)C(O)=O
InChIKey
InChIKey=RNNSVYPDEYDGAD-UHFFFAOYSA-N
Formula
C13H14ClNO4S
Mass
315.77
Taxonomic Classification
Taxonomy Tree
-
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
2,5-disubstituted thiophenes Aryl chlorides Vinylogous esters Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous ester - Thiophene - Amino acid - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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