Compound Identification
SMILES
COC1=CC=CC(OC)=C1C1=CC=C(C[C@H](NC2=NC(=NC=C2C2=CC=CC=C2F)N(C)C(C)C)C(O)=O)C=C1
InChIKey
InChIKey=SLVUIIUDVBWBKO-VWLOTQADSA-N
Formula
C31H33FN4O4
Mass
544.627
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
Phenylpyrimidines Biphenyls and derivatives Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Dimethoxybenzenes Phenoxy compounds Anisoles Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Aryl fluorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Biphenyl - 5-phenylpyrimidine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Dimethoxybenzene - L-alpha-amino acid - M-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aminopyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organohalogen compound - Organic oxygen compound - Organic oxide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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