Compound Identification
SMILES
ClC1=NC2=C(C=C1)C=CC(=N2)N1C(CC(=O)N2CCC3(CC2)OCCO3)C2=CC=CC=C2C1=O
InChIKey
InChIKey=DPGKFACWOCLTCA-UHFFFAOYSA-N
Formula
C25H23ClN4O4
Mass
478.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
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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
Azaspirodecane derivatives Isoindolones Naphthyridines Isoindoles N-acylpiperidines 2-halopyridines Ketals Aryl chlorides Benzenoids Imidolactams 1,3-dioxolanes Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Diazanaphthalene - Naphthyridine - Isoindolone - Azaspirodecane - N-acyl-piperidine - Isoindole or derivatives - Isoindole - Isoindoline - 2-halopyridine - Ketal - Aryl chloride - Imidolactam - Benzenoid - Pyridine - Piperidine - Aryl halide - Tertiary carboxylic acid amide - Meta-dioxolane - Heteroaromatic compound - Lactam - Carboxamide group - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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