Compound Identification
SMILES
COC(=O)C1SCCN1C(=O)C1=CSC(=N1)C1CCN(CC1)C(=O)C1=C(C)N2N=C(C)C=C2N=N1
InChIKey
InChIKey=VIQCORLHZSGQQK-UHFFFAOYSA-N
Formula
C22H25N7O4S2
Mass
515.61
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
N-acylpiperidines Pyrazolotriazines 2-heteroaryl carboxamides Thiazolecarboxamides 2,4-disubstituted thiazoles 1,2,4-triazines Vinylogous amides Thiazolidines Heteroaromatic compounds Methyl esters Tertiary carboxylic acid amides Pyrazoles Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-piperidine - Pyrazolotriazine - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Piperidine - 1,2,4-triazine - Triazine - Azole - Pyrazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Thiazolidine - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Thioether - Hemithioaminal - Monocarboxylic acid or derivatives - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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