Compound Identification
SMILES
CCCCCCCCCCCCN[C@H](CC1=CC=CC=C1)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KOPIPBLWLWVZSD-AREMUKBSSA-N
Formula
C27H38N2O4
Mass
454.611
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
Alpha amino acid esters Phenol esters Amphetamines and derivatives Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Aralkylamines Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - 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