Compound Identification
SMILES
COC(=O)C(CC1=CC=C(I)C=C1)NC(=O)OC(C)(C)C
InChIKey
InChIKey=HNCUXLSIVYDGBW-UHFFFAOYSA-N
Formula
C15H20INO4
Mass
405.232
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
-
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 Amphetamines and derivatives Iodobenzenes Fatty acid esters Aryl iodides Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Iodobenzene - Halobenzene - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Methyl ester - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - 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