Compound Identification
SMILES
CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OC(=O)C3CCCN3)=C4)=N2)=NO1
InChIKey
InChIKey=DXGPFHZFWIYQPG-UHFFFAOYSA-N
Formula
C28H28N6O4S
Mass
544.63
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
Proline and derivatives Phenylimidazoles N-phenylureas Phenol esters Benzothiazoles Pyrrolidine carboxylic acids N-substituted imidazoles Imidolactams Isoxazoles Heteroaromatic compounds Thiazoles Ureas Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - 5-phenylimidazole - 4-phenylimidazole - N-phenylurea - Phenol ester - 1,3-benzothiazole - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Azole - Imidazole - Isoxazole - Heteroaromatic compound - Thiazole - Pyrrolidine - Urea - Carboxylic acid ester - Secondary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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