Compound Identification
SMILES
CCOC(=O)CN1C(SC2=C1C=CC(=C2)S(N)(=O)=O)=NC(=O)C=CC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=IHGMVDLQVTYTJZ-UHFFFAOYSA-N
Formula
C20H18N4O7S2
Mass
490.51
Taxonomic Classification
Taxonomy Tree
-
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
Cinnamic acids and derivatives Benzothiazoles Nitrobenzenes Styrenes Nitroaromatic compounds Organosulfonamides Thiazoles Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Isothioureas N-acylimines Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Cinnamic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Styrene - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Azole - Sulfonyl - Thiazole - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - N-acylimine - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Isothiourea - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - 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