Compound Identification
SMILES
CC1=C(C=CC(NCC2CC2)=N1)S(=O)(=O)N1CC2=CC3=C(OC[C@@H](O3)C3=CC=C(OCC4=CC(Cl)=C(Cl)C=C4)C=C3)C=C2C[C@H]1C(=O)N[C@@H](CC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)C(O)=O
InChIKey
InChIKey=QNIJJUNMSUDOJO-IMLAOGSGSA-N
Formula
C51H45Cl2N5O8S
Mass
958.91
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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 Pyridinesulfonamides Benzonitriles Phenoxy compounds Dichlorobenzenes Phenol ethers Secondary alkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Methylpyridines Para dioxins Organosulfonamides Aryl chlorides Imidolactams Sulfonyls Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Nitriles Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Phenylbenzodioxane - 2-phenylbenzo-1,4-dioxane - Biphenylcarbonitrile - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Biphenyl - 3-phenylpropanoic-acid - Benzo-1,4-dioxane - Amphetamine or derivatives - Tetrahydroisoquinoline - Pyridine-3-sulfonamide - Benzodioxane - Benzonitrile - 1,2-dichlorobenzene - Phenol ether - Phenoxy compound - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aminopyridine - Alkyl aryl ether - Methylpyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Organosulfonic acid amide - Para-dioxin - Pyridine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Secondary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid - Oxacycle - Azacycle - Organic oxygen compound - Carbonyl group - Cyanide - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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