Compound Identification
SMILES
CN(CC[C@H](N)CC(=O)N[C@H]1C=CC(O[C@@H]1C(O)=O)N1C=CC(=O)NC1=O)C(N)=N
InChIKey
InChIKey=REIIQZAQCCFGIJ-CJJWOEGASA-N
Formula
C17H25N7O6
Mass
423.43
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
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Pyrimidones Hydropyrimidines N-acyl amines Pyrans Vinylogous amides Heteroaromatic compounds Amino acids Guanidines Ureas Tertiary amines Lactams Secondary carboxylic acid amides Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Imines Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Pyrimidone - Fatty amide - Hydropyrimidine - N-acyl-amine - Pyran - Pyrimidine - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Urea - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Guanidine - Lactam - Carboxylic acid - Organoheterocyclic compound - Carboximidamide - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Primary aliphatic amine - Organic nitrogen compound - Imine - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available