Compound Identification
SMILES
CC(Br)CN(CC(C)Br)C1=C(F)C=C(C=C1F)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIKey
InChIKey=YHGWIJVSAYBXQA-UHFFFAOYSA-N
Formula
C25H36Br2F2N2O5
Mass
642.377
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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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
Aspartic acid and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives 3-halobenzoic acids and derivatives Aminobenzamides Aniline and substituted anilines Nitrogen mustard compounds Benzoyl derivatives Dialkylarylamines Fluorobenzenes Fatty acid esters Aryl fluorides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Nitrogen mustard - Fatty acid ester - Fluorobenzene - Halobenzene - Benzenoid - Fatty acyl - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organohalogen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Alkyl bromide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organic oxygen compound - Organic oxide - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available