Compound Identification
SMILES
C[C@@H](NC(=O)N1CC2=CC3=C(OC[C@@H](O3)C3=CC=C(OCC4=C(F)C(Cl)=CC=C4)C=C3)C=C2C[C@H]1C(=O)N[C@@H](CC1=CC=C(C=C1)C1=C(C)C(C)=NC=C1)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=CNWOBWVYVKABBB-QADDEDFVSA-N
Formula
C50H46ClFN4O7
Mass
869.39
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
-
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 N-acyl-L-alpha-amino acids Alpha amino acid amides Phenylpyridines Phenylpropanoic acids Tetrahydroisoquinolines Amphetamines and derivatives Benzo-1,4-dioxanes Phenoxy compounds Phenol ethers Chlorobenzenes Fluorobenzenes Methylpyridines Alkyl aryl ethers Para dioxins Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Ureas Tertiary amines Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 4-phenylpyridine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzo-1,4-dioxane - Tetrahydroisoquinoline - Benzodioxane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Methylpyridine - Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Pyridine - Para-dioxin - Aryl chloride - Benzenoid - Heteroaromatic compound - Amino acid - Urea - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organochloride - Organic oxide - Organic nitrogen compound - Organooxygen 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