Compound Identification
SMILES
CCOC(=O)CC(NCC1=CC=C(C=C1)N=CC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1C1=CC=CC=C1)C(=O)OCC
InChIKey
InChIKey=PWOHERWIVGQWPT-UHFFFAOYSA-N
Formula
C31H29F3N4O4
Mass
578.592
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 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 Quinoxalines Benzylamines Phenylmethylamines Aralkylamines Fatty acid esters Dicarboxylic acids and derivatives Pyrazines Heteroaromatic compounds Shiff bases Carboxylic acid esters Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - Quinoxaline - Benzylamine - Phenylmethylamine - Fatty acid ester - Aralkylamine - Fatty acyl - Benzenoid - Pyrazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Heteroaromatic compound - Shiff base - Carboxylic acid ester - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Aldimine - Alkyl fluoride - Imine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic 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