Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)CSCC(=O)N1CCCCC1
InChIKey
InChIKey=PPSBGUKWQFKWTR-UHFFFAOYSA-N
Formula
C19H22N4O6S2
Mass
466.53
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
Benzothiazoles N-acylpiperidines Nitroaromatic compounds Benzenoids Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Isothioureas N-acylimines Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 1,3-benzothiazole - N-acyl-piperidine - Nitroaromatic compound - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Methyl ester - Carboxamide group - Carboxylic acid ester - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Organooxygen compound - Organosulfur compound - Carbonyl group - 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