Compound Identification
SMILES
COC1=CC=C(NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C2=CC=CC3=NSN=C23)C=C1
InChIKey
InChIKey=VCBCQOFXOKJPPX-UHFFFAOYSA-N
Formula
C21H22N4O6S2
Mass
490.55
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
Anilides Benzothiadiazoles Methoxyanilines Piperidinecarboxylic acids Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Organosulfonamides Thiadiazoles Heteroaromatic compounds Sulfonyls Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Piperidinecarboxylic acid - Methoxyaniline - Anilide - 2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Piperidine - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Azole - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - 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