Compound Identification
SMILES
COC1=CC=C(COC2=CC=CC=C2C(=C)C2=C(N=C(O2)[C@@H](NC(=O)[C@H](CC2=CC(Br)=C(OCC3=CC=CC=C3)C(Br)=C2)NC(=O)OC(C)(C)C)C(C)C)C#N)C=C1
InChIKey
InChIKey=CUYCLPMSOQDYRT-VQIIKMDRSA-N
Formula
C45H46Br2N4O7
Mass
914.692
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
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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 Amphetamines and derivatives Styrenes 2,4,5-trisubstituted oxazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Fatty amides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Fatty acyl - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Oxazole - Carbamic acid ester - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Nitrile - Carbonitrile - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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