Compound Identification
SMILES
CCCCC(CN[C@@H](CC(O)=O)C1=CC2=C(OCO2)C=C1)N1C=C(C)C=C(CC2=CC=C(Cl)C=C2)C1=O
InChIKey
InChIKey=IJKZVBOGWFPKSL-BBMPLOMVSA-N
Formula
C29H33ClN2O5
Mass
525.04
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
Benzodioxoles Aralkylamines Pyridinones Chlorobenzenes Dihydropyridines Methylpyridines Aryl chlorides Heteroaromatic compounds Lactams Amino acids Azacyclic compounds Dialkylamines Acetals Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxole - Pyridinone - Halobenzene - Aralkylamine - Dihydropyridine - Methylpyridine - Chlorobenzene - Pyridine - Aryl chloride - Hydropyridine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Heteroaromatic compound - Lactam - Amino acid - Acetal - Carboxylic acid - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen 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