Compound Identification
SMILES
CCOC(=O)C1=NN(C2=NC(C)=C(C(N12)C1=CC=CS1)C(=O)OC)C1=CC=CC=C1C
InChIKey
InChIKey=HBZUTJWBBWXFBB-UHFFFAOYSA-N
Formula
C22H22N4O4S
Mass
438.5
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
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Triazolopyrimidines Toluenes Dicarboxylic acids and derivatives Imidolactams Hydropyrimidines Triazolines Thiophenes Methyl esters Enoate esters Heteroaromatic compounds Amidrazones Guanidines Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carbonyl compounds Amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Triazolopyrimidine - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Triazoline - Thiophene - Carboxylic acid ester - Carboxylic acid amidrazone - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Amidine - Organic oxide - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available