Compound Identification
SMILES
COC(=O)[C@H](NC1=CC=C(F)C=C1)[C@H](C)NC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=ZILLHFYAFQNLGD-MEDUHNTESA-N
Formula
C18H18BrFN2O3
Mass
409.255
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzamides Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines Bromobenzenes Fatty acid esters Fluorobenzenes Aryl fluorides Aryl bromides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Organobromides Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Bromobenzene - Fatty acid ester - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Fatty acyl - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Secondary amine - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available