Compound Identification
SMILES
COC(=O)C(NC(=O)NC1=CC(I)=CC=C1)C(C)C
InChIKey
InChIKey=ZERNQCXDEMLTDJ-UHFFFAOYSA-N
Formula
C13H17IN2O3
Mass
376.194
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
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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 - N-carbamoyl-alpha amino acids and derivatives
Direct Parent
N-carbamoyl-alpha amino acids
Alternative Parents
Valine and derivatives Alpha amino acid esters N-phenylureas Iodobenzenes Fatty acid esters Aryl iodides Methyl esters Ureas Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - N-carbamoyl-alpha-amino acid - N-phenylurea - Fatty acid ester - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carbonic acid derivative - Carboxylic acid ester - Urea - Monocarboxylic acid or derivatives - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors
Not available