Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(CC(=O)N[C@H](C(C)C)C(=O)[C@H]1[C@H](C)C(=O)NC1=O)NC(=O)C1=C(F)N=CC=C1
InChIKey
InChIKey=BGUIPTOUEHTIIT-SZAPOGAKSA-N
Formula
C27H29FN4O7
Mass
540.548
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
Benzoic acid esters Nicotinamides Benzoyl derivatives 2-halopyridines 1,3-dicarbonyl compounds Pyrrolidine-2-ones Aryl fluorides Fatty amides Vinylogous halides N-unsubstituted carboxylic acid imides Methyl esters Dicarboximides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketones Azacyclic compounds Organic oxides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzoate ester - Pyridine carboxylic acid or derivatives - Nicotinamide - Benzoic acid or derivatives - Benzoyl - 2-halopyridine - Fatty acyl - Pyridine - Fatty amide - Benzenoid - Aryl halide - 1,3-dicarbonyl compound - Aryl fluoride - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Pyrrolidine - Methyl ester - Carboxylic acid imide - Dicarboximide - Vinylogous halide - Carboxylic acid imide, n-unsubstituted - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen 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