Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@@H]1C[C@H](N2NC(C(=O)NC3=C(Cl)N=CC=C3)=C(Cl)C2=N1)C(F)(F)F
InChIKey
InChIKey=HVXMZGSLZYNESS-WFASDCNBSA-N
Formula
C21H18Cl2F3N5O3
Mass
516.3
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
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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 Pyrimidinecarboxamides Pyrazolopyrimidines Anisoles Phenoxy compounds N-arylamides 2-halopyridines Alkyl aryl ethers Aryl chlorides Hydropyrimidines Imidolactams Vinylogous halides Pyrazolines Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amidrazones Amidines Chloroalkenes Azacyclic compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Pyrimidinecarboxamide - Pyrazolopyrimidine - Phenoxy compound - Anisole - N-arylamide - Methoxybenzene - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Pyrimidine - Pyridine - Aryl halide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Monocyclic benzene moiety - Benzenoid - Pyrazoline - Vinylogous halide - Pyrazole - Heteroaromatic compound - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Vinyl chloride - Vinyl halide - Amidine - Azacycle - Chloroalkene - Organoheterocyclic compound - Haloalkene - Ether - Alkyl halide - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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