Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC1=NC(=O)N(CC(=O)N(CCO)CC(O)=O)C=C1
InChIKey
InChIKey=ADSQWTWXQWNRMO-UHFFFAOYSA-N
Formula
C18H20N4O7
Mass
404.379
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones Imidolactams Hydropyrimidines Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Alkanolamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid - Ether - Alkanolamine - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available