Compound Identification
SMILES
OC(=O)[C@H](CC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)NC(=O)[C@@H]1CC2=CC3=C(OC(CO3)C3=CC=C(OCC4=CC(Cl)=C(Cl)C=C4)C=C3)C=C2CN1CC1=CC=NC=C1
InChIKey
InChIKey=SMFWVOPIZVAGPT-HNGVJOSZSA-N
Formula
C47H38Cl2N4O6
Mass
825.74
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
Phenylbenzo-1,4-dioxanes Biphenylcarbonitriles N-acyl-L-alpha-amino acids Alpha amino acid amides Phenylpropanoic acids Tetrahydroisoquinolines Amphetamines and derivatives Benzo-1,4-dioxanes Benzonitriles Phenoxy compounds Dichlorobenzenes Phenol ethers Aralkylamines Alkyl aryl ethers Para dioxins Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids Carboxylic acids Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - Biphenylcarbonitrile - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Biphenyl - Alpha-amino acid amide - 3-phenylpropanoic-acid - Benzodioxane - Tetrahydroisoquinoline - Amphetamine or derivatives - Benzo-1,4-dioxane - Benzonitrile - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Aralkylamine - Chlorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl chloride - Aryl halide - Para-dioxin - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Oxacycle - Ether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Organic oxygen compound - Aromatic heteropolycyclic 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