Compound Identification
SMILES
CC1=CN(C=C1C(NC1=CC=C(C=C1)C(=O)NCCC(O)=O)C1CCCCC1)C1=CC(Cl)=NC=C1
InChIKey
InChIKey=DDZVQDVBWUSAIP-UHFFFAOYSA-N
Formula
C27H31ClN4O3
Mass
495.02
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
Aminobenzamides Benzamides Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines 2-halopyridines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - 2-halopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Organohalogen compound - 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