Compound Identification
SMILES
COC1=CC=C(OC2=C(N3C(CC3=O)S2)C(O)=O)C=C1
InChIKey
InChIKey=ISOHAOVUBAZKSM-UHFFFAOYSA-N
Formula
C13H11NO5S
Mass
293.29
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
Thiazolecarboxylic acids and derivatives Phenoxy compounds Penems Anisoles Methoxybenzenes Alkyl aryl ethers Vinylogous thioesters Vinylogous esters Thiazolines Tertiary carboxylic acid amides Monothioacetals Azetidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Thiazolecarboxylic acid or derivatives - Penem - Alkyl aryl ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Vinylogous ester - Meta-thiazoline - Thiazole - Monothioacetal - Tertiary carboxylic acid amide - Beta-lactam - Azetidine - Carboxamide group - Lactam - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Azacycle - Hemithioaminal - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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