Compound Identification
SMILES
[Cl-].CCCCCCCCNC(=O)[C@H](CC1=CC=C(OC(=O)OCC2=CC=CC=C2Br)C=C1)NC(=O)C1CCC(C[NH3+])CC1
InChIKey
InChIKey=PJPBAJQATFXTDU-UMNWNVFJSA-N
Formula
C33H47BrClN3O5
Mass
681.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
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
-
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Benzyloxycarbonyls Phenoxy compounds Bromobenzenes Aryl bromides Carbonic acid diesters Fatty amides Quaternary ammonium salts Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic chloride salts Organic oxides Organic zwitterions Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Benzyloxycarbonyl - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carbonic acid diester - Fatty amide - Fatty acyl - Benzenoid - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Organic salt - Amine - Primary aliphatic amine - Organic chloride salt - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary amine - Organobromide - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic homomonocyclic 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