Compound Identification
SMILES
COC1=NC(N[C@@H](CC2=CC=C(NC(=O)C3=C(Cl)C=NC=C3Cl)C=C2)C(O)=O)=NC(OC2=CC=CC=C2)=N1
InChIKey
InChIKey=VCDLXCBLDXYRPX-IBGZPJMESA-N
Formula
C25H20Cl2N6O5
Mass
555.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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
Phenylalanine and derivatives
Alternative Parents
Aromatic anilides Diarylethers Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Pyridinecarboxylic acids and derivatives 2-methoxy-1,3,5-triazines Polyhalopyridines Phenol ethers Phenoxy compounds N-aliphatic s-triazines Alkyl aryl ethers Secondary alkylarylamines Aryl chlorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Aromatic anilide - Diaryl ether - 3-phenylpropanoic-acid - L-alpha-amino acid - Amphetamine or derivatives - Pyridine carboxylic acid or derivatives - 2-methoxy-1,3,5-triazine - Phenol ether - Phenoxy compound - Polyhalopyridine - Alkoxy-s-triazine - Aminotriazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Amino-1,3,5-triazine - Benzenoid - 1,3,5-triazine - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyridine - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid - Amine - Organohalogen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available