Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)S(=O)(=O)N1CCC2=CC=CC=C2C1CC(=O)NC1CCC(CCC2=NCCN2)CC1
InChIKey
InChIKey=FDFXBEALQUEAKZ-UHFFFAOYSA-N
Formula
C28H34Cl2N4O3S
Mass
577.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Tetrahydroisoquinolines Benzenesulfonamides Benzenesulfonyl compounds Dichlorobenzenes Organosulfonamides Aryl chlorides Imidolactams Sulfonyls Imidazolines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Tetrahydroisoquinoline - Benzenesulfonamide - Benzenesulfonyl group - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl halide - Imidolactam - Benzenoid - Aryl chloride - Organosulfonic acid amide - Monocyclic benzene moiety - 2-imidazoline - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amidine - Azacycle - Carboxylic acid amidine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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