Compound Identification
SMILES
CCCCOC1=CC=CC(=C1)C(=O)N=C1SC2=C(C=CC(=C2)S(N)(=O)=O)N1CC(=O)OC
InChIKey
InChIKey=GAWSOPKFYKTZEW-UHFFFAOYSA-N
Formula
C21H23N3O6S2
Mass
477.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
Benzoic acids and derivatives Benzothiazoles Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Thiazoles Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzoic acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Thiazole - Sulfonyl - Methyl ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Heteroaromatic compound - Carboxylic acid ester - Isothiourea - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - 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