Compound Identification
SMILES
CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@H](O[C@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N
InChIKey
InChIKey=CXNPLSGKWMLZPZ-GIFSMMMISA-N
Formula
C17H26N8O5
Mass
422.446
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 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 Aminopyrimidines and derivatives Pyrans N-acyl amines Hydropyrimidines Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Guanidines Oxacyclic compounds Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines Imines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Aminopyrimidine - Pyrimidone - Fatty amide - Hydropyrimidine - N-acyl-amine - Pyran - Pyrimidine - Fatty acyl - Imidolactam - Heteroaromatic compound - Carboxamide group - Guanidine - Amino acid - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboximidamide - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Imine - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Amine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Primary amine - 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