Compound Identification
SMILES
COC1=C(C2=C(C=C1)C(C(=O)N[C@@H](CC(O)=O)C(O)=O)=C(F)C=C2)C(F)(F)F
InChIKey
InChIKey=QNZOSBJTDFIBJB-JTQLQIEISA-N
Formula
C17H13F4NO6
Mass
403.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
-
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
Naphthalenecarboxamides N-acyl-alpha amino acids 2-halobenzoic acids and derivatives Anisoles Alkyl aryl ethers Aryl fluorides Dicarboxylic acids and derivatives Vinylogous halides Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 1-naphthalenecarboxamide - 1-naphthalenecarboxylic acid or derivatives - Naphthalene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Ether - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Organooxygen compound - Aromatic homopolycyclic 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