Compound Identification
SMILES
CC(C)[C@H](N)C(=O)OCC(F)(F)CN1N=C(C)C(=C1C1=CC=C(F)C=C1)C1=CC2=C(OCC(=O)N2)C=C1
InChIKey
InChIKey=HOSVQZMUKDQSJC-QHCPKHFHSA-N
Formula
C26H27F3N4O4
Mass
516.521
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
-
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
Valine and derivatives Phenylpyrazoles Benzoxazinones Benzomorpholines Alkyl aryl ethers Fatty acid esters Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Phenylpyrazole - Benzoxazinone - Benzoxazine - Benzomorpholine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Aryl fluoride - Oxazinane - Aryl halide - Azole - Pyrazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Alkyl fluoride - Carbonyl group - Primary amine - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Primary aliphatic amine - Organofluoride - Aromatic heteropolycyclic 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