Compound Identification
SMILES
Cl.CC1=CC(Cl)=C(OCCOC2=CC=C(C=C2)C(=O)N[C@H]2CCNCC2C(=O)N(CC2=CC=CC=C2F)C2CC2)C(Cl)=C1
InChIKey
InChIKey=BLOUTBJDNPQUNA-PQSWLCTMSA-N
Formula
C32H35Cl3FN3O4
Mass
651.0
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
Benzamides Piperidinecarboxamides Benzoyl derivatives Dichlorobenzenes Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Toluenes Aryl fluorides Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Tertiary amines Dialkylamines Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - 3-piperidinecarboxamide - Benzoic acid or derivatives - Piperidinecarboxamide - Phenoxy compound - Phenol ether - Benzoyl - 1,3-dichlorobenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Toluene - Chlorobenzene - Piperidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Ether - Organohalogen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Amine - Hydrochloride - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen 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