Compound Identification
SMILES
COC1=C(Cl)C=C2NC(=O)NC(CC(=O)N3CCN(CC4=CC=C(F)C=C4)C[C@H]3C)C2=C1
InChIKey
InChIKey=OUKHLBLXSGFDPK-QMRFKDRMSA-N
Formula
C23H26ClFN4O3
Mass
460.93
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Quinazolines Anisoles Benzylamines Phenylmethylamines Alkyl aryl ethers Aralkylamines Fluorobenzenes N-alkylpiperazines Pyrimidones Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Quinazoline - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Pyrimidone - 1,4-diazinane - Aryl chloride - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Piperazine - Pyrimidine - Tertiary carboxylic acid amide - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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