Compound Identification
SMILES
COC(=O)C1=C(O)C=CC=C1OCCCCNC(=O)[C@H](CC1=CC(Br)=C(C=C1)C1CC(=O)[N+](O)([O-])S1)NC(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=ZBOMBOGVFXIATG-BXXZMZEQSA-N
Formula
C32H34BrN3O10S
Mass
732.6
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
Alpha amino acid amides o-Hydroxybenzoic acid esters Benzyloxycarbonyls Amphetamines and derivatives Salicylic acid and derivatives Benzoyl derivatives Phenoxy compounds Phenol ethers Thiazolidinediones Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Fatty amides Methyl esters Vinylogous acids Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - O-hydroxybenzoic acid ester - Amphetamine or derivatives - Benzoate ester - Benzyloxycarbonyl - Salicylic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Thiazolidinedione - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Benzenoid - Aryl bromide - Fatty amide - Thiazolidine - Vinylogous acid - Methyl ester - Carbamic acid ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organic zwitterion - Organobromide - Organic salt - 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