Compound Identification
SMILES
CCC=CCC1(C)N=C(C(=O)N1[C@H](CC)C1=CC=C(C=C1)C(=O)NCCC(O)=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=ZCYJAMCHCPSVGB-YFIOFSHDSA-N
Formula
C28H32FN3O4
Mass
493.579
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
Phenylpropanes Benzamides Imidazolyl carboxylic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Imidazolinones Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylpropane - Benzoyl - Imidazolyl carboxylic acid derivative - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazolinone - Tertiary carboxylic acid amide - 3-imidazoline - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Lactam - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Imine - 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