Compound Identification
SMILES
COC1=C(OC)C=C(CCN2C3=C(C(=O)NC2=O)C(NC2=NC=CC=N2)(C(=O)N3)C(F)(F)F)C=C1
InChIKey
InChIKey=NQOVCEUCOMZOTA-UHFFFAOYSA-N
Formula
C21H19F3N6O5
Mass
492.415
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Dimethoxybenzenes Pyrrolopyrimidines Phenoxy compounds Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Pyrimidones Vinylogous amides Pyrroles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Organofluorides Alkyl fluorides Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Pyrrolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Urea - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Ether - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available