Compound Identification
SMILES
OC(=O)C(CNC1=CC2=C(C=C1)N(CCCNC1=CC=CC=N1)CCO2)C1=CN=CC=C1
InChIKey
InChIKey=YLLQQLMCXYGBET-UHFFFAOYSA-N
Formula
C24H27N5O3
Mass
433.512
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Benzomorpholines Benzoxazines Dialkylarylamines Secondary alkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Imidolactams Benzenoids Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzomorpholine - Benzoxazine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aminopyridine - Aralkylamine - Secondary aliphatic/aromatic amine - Oxazinane - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid - Tertiary amine - Oxacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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