Compound Identification
SMILES
CCOC(=O)CCNC(=O)C[C@H](NC(=O)NC1=CC=C(C=C1)C(N)=N)C1=CN=CC=C1
InChIKey
InChIKey=UTFRQBRNHGSYDZ-KRWDZBQOSA-N
Formula
C21H26N6O4
Mass
426.477
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
N-phenylureas Pyridines and derivatives Fatty amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylurea - Monocyclic benzene moiety - Fatty amide - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Urea - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid amidine - Carboximidamide - Monocarboxylic acid or derivatives - Amidine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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