Compound Identification
SMILES
COC1=CC=C(NC(=O)COC(=O)CN2C(CSC)=NC3=CC=CC=C23)C=C1
InChIKey
InChIKey=MPDDLLHJOKJUIF-UHFFFAOYSA-N
Formula
C20H21N3O4S
Mass
399.47
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
Anilides Benzimidazoles Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzimidazole - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Ether - Thioether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - 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