Compound Identification
SMILES
CC(=O)SCC1(C)SC2CC(=O)N2C1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=GCIBPKSDXRHLSL-UHFFFAOYSA-N
Formula
C17H18N2O6S2
Mass
410.46
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
-
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
Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Penams Thiazolidines Tertiary carboxylic acid amides Azetidines Carbothioic S-esters Carboxylic acid esters Thioesters Organic oxoazanium compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Penam - Nitroaromatic compound - Benzenoid - Monocyclic benzene moiety - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carbothioic s-ester - Carboxylic acid ester - Lactam - C-nitro compound - Thiocarboxylic acid ester - Azetidine - Azacycle - Organoheterocyclic compound - Dialkylthioether - 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 - Sulfenyl compound - Thiocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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