Compound Identification
SMILES
COC(=O)CN1C2=CC=CC=C2C(=N[C@H](NC(=O)[C@@H](C)CC2=CC(F)=C(F)C=C2)C1=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=DJNHHASAPQZIRO-RKOGDMNLSA-N
Formula
C29H25F2N3O6
Mass
549.531
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- 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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid esters 1,4-benzodiazepines Phenylpropanes Benzodioxoles Fluorobenzenes Aryl fluorides Fatty amides Tertiary carboxylic acid amides Methyl esters Secondary carboxylic acid amides Ketimines Lactams Azacyclic compounds Oxacyclic compounds Acetals Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Benzodiazepine - 1,4-benzodiazepine - Phenylpropane - Benzodioxole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - Tertiary carboxylic acid amide - Methyl ester - Lactam - Carboxamide group - Ketimine - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Imine - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available