Compound Identification
SMILES
CN(C)C(=S)SCC1(C)SC2CC(=O)N2C1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=PWPMRZXRSCEUFV-UHFFFAOYSA-N
Formula
C18H21N3O5S3
Mass
455.56
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 Penams Nitroaromatic compounds Thiazolidines Tertiary carboxylic acid amides Dithiocarbamic acid esters Azetidines Carboxylic acid esters Azacyclic compounds Thiohemiaminal derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic salts Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Dithiocarbamic acid ester - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Hemithioaminal - Thioether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkylthioether - Sulfenyl compound - Organic oxoazanium - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Organosulfur compound - 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