Compound Identification
SMILES
CC1=C(C=CC(=C1)[N+]([O-])=O)C1=CC=C(O1)C=C1SC(=O)N(CC(=O)OC(C)(C)C)C1=O
InChIKey
InChIKey=FJGTXQUNHUIXEZ-UHFFFAOYSA-N
Formula
C21H20N2O7S
Mass
444.46
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
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Thiazolidinediones Dicarboximides Furans Heteroaromatic compounds Thiocarbamic acid derivatives Carboxylic acid esters Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Thiazolidinedione - Toluene - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Furan - Heteroaromatic compound - Thiazolidine - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Thiocarbamic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic salt - Organic cation - Aromatic heteromonocyclic 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