Compound Identification
SMILES
COC(=O)CN=C(NC(=S)N1CCOCC1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=FLDDVQFCPDBEIS-UHFFFAOYSA-N
Formula
C15H18BrN3O3S
Mass
400.29
Taxonomic Classification
Taxonomy Tree
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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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Bromobenzenes Aryl bromides Morpholines Methyl esters Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboxamidines Monocarboxylic acids and derivatives Dialkyl ethers Carboximidamides Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Methyl ester - Carboxylic acid ester - Thiourea - Amidine - Oxacycle - Carboxylic acid amidine - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available