Compound Identification
SMILES
OC(=O)CC(NC1=CC2=C(C=C1)N(CCCNC1=CC=CC=N1)CCO2)C1=CC=CC=C1
InChIKey
InChIKey=QYULREHDHRKOSE-UHFFFAOYSA-N
Formula
C25H28N4O3
Mass
432.524
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
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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
Phenylpropanoic acids Benzomorpholines Benzoxazines Dialkylarylamines Secondary alkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Imidolactams Benzene and substituted derivatives 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 - 3-phenylpropanoic-acid - Benzomorpholine - Benzoxazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Secondary aliphatic/aromatic amine - Aralkylamine - Imidolactam - Benzenoid - Pyridine - Oxazinane - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Amino acid - Organoheterocyclic compound - Oxacycle - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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