Compound Identification
SMILES
COC1=C(OC)C(Cl)=C(C=C1)C(NC1=CC=C(C=C1)C(N)=N)C(=O)NNC1=C(C=CC=N1)C(=O)OC(=O)C(F)(F)F
InChIKey
InChIKey=HJYUIQXEALDTCB-UHFFFAOYSA-N
Formula
C25H22ClF3N6O6
Mass
594.93
Taxonomic Classification
Taxonomy Tree
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Dimethoxybenzenes Phenylacetamides Pyridinecarboxylic acids Anisoles Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Chlorobenzenes Secondary alkylarylamines Alkyl aryl ethers Imidolactams Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous amides Carboxylic acid anhydrides Alpha-halocarboxylic acid derivatives Carboxylic acid hydrazides Azacyclic compounds Carboxamidines Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylacetamide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Anisole - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Phenol ether - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aralkylamine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Imidolactam - Benzenoid - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Vinylogous amide - Carboxylic acid anhydride - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboximidamide - Secondary amine - Organoheterocyclic compound - Amidine - Carboxylic acid amidine - Ether - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organochloride - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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