Compound Identification
SMILES
COC(=O)[C@@H](C)N1CNC2=C(C=CC(OC)=C2)S1(=O)=O
InChIKey
InChIKey=JSXIQUJBNFSLJX-MRVPVSSYSA-N
Formula
C12H16N2O5S
Mass
300.33
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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 acid esters
Alternative Parents
1,2,4-benzothiadiazine-1,1-dioxides Alanine and derivatives Anisoles Alkyl aryl ethers Organosulfonamides Methyl esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 1,2,4-benzothiadiazine-1,1-dioxide - Alanine or derivatives - Benzothiadiazine - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Methyl ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Azacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available