Compound Identification
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)CC(NC(=O)C1=CC2=C(C=C1)N=C(CC1=NC3=CC=CC=C3N1)N2C)C(O)=O
InChIKey
InChIKey=MUBRTZUPIWFOTR-UHFFFAOYSA-N
Formula
C29H26N6O8S
Mass
618.62
Taxonomic Classification
Taxonomy Tree
-
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 Asparagine and derivatives
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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
Asparagine and derivatives
Alternative Parents
N-acyl-alpha amino acids Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzimidazoles Benzoyl derivatives N-substituted imidazoles Dicarboxylic acids and derivatives Aminosulfonyl compounds Organosulfonic acids and derivatives Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Benzenesulfonamide - Benzoate ester - Benzimidazole - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Dicarboxylic acid or derivatives - Imidazole - Azole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available