Compound Identification
SMILES
Cl.NC1C2SCC(C[N+]3=CC4=C(CCC4)C=C3)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=DKTLVIAUEAVOMS-UHFFFAOYSA-N
Formula
C16H18ClN3O3S
Mass
367.85
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
Cephems Pyridinium derivatives 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Monoalkylamines Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Meta-thiazine - Pyridine - Pyridinium - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Lactam - Tertiary amine - Organoheterocyclic compound - Dialkylthioether - Azacycle - Hemithioaminal - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrochloride - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organic salt - 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