Compound Identification
SMILES
CC1C(CN2C=NC(Cl)=C2Cl)OC(OC1C1=CC=C(CO)C=C1)C1=CC=CC(=C1)C1=CC(CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C2=CC=C(C)C=C2)=CC=C1
InChIKey
InChIKey=LGQYVWHQEZHZRI-UHFFFAOYSA-N
Formula
C45H44Cl2N4O6S
Mass
839.83
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
Alpha amino acid amides Biphenyls and derivatives P-toluenesulfonamides Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzyl alcohols 1,3-dioxanes Aryl chlorides Organosulfonamides Fatty amides N-substituted imidazoles Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Acetals Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Aromatic alcohols Hydrocarbon derivatives Primary alcohols Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Biphenyl - Alpha-amino acid amide - P-toluenesulfonamide - Amphetamine or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Benzyl alcohol - Toluene - N-substituted imidazole - Fatty amide - Meta-dioxane - Organosulfonic acid amide - Aryl chloride - Aryl halide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Sulfonyl - Imidazole - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Azole - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Carbonyl group - Primary alcohol - Aromatic alcohol - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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