Compound Identification
SMILES
CCOC(=O)[C@H]1CC[C@H](N1SC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(=O)OCC
InChIKey
InChIKey=SMYBRYXJNMYXQZ-TXEJJXNPSA-N
Formula
C16H19N3O8S
Mass
413.4
Taxonomic Classification
Taxonomy Tree
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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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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
Proline and derivatives Nitrobenzenes Pyrrolidine carboxylic acids Nitroaromatic compounds Dicarboxylic acids and derivatives Carboxylic acid esters Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organosulfenic acid amides Organic oxoazanium compounds Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfenic acid amide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organic salt - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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