Compound Identification
SMILES
BrC1=CC=C(C=C1)C12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC1=CC=C(C=C1)N1CCOCC1
InChIKey
InChIKey=HKEXOGUMDHHHCR-UHFFFAOYSA-N
Formula
C25H26BrN3O5S
Mass
560.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
Phenylmorpholines Phenylpyrrolidines Anilides Aniline and substituted anilines N-arylamides Dialkylarylamines Bromobenzenes Pyrrolidine-2-ones Aryl bromides N-alkylpyrrolidines Thiazolidines Tertiary carboxylic acid amides Pyrroles Secondary carboxylic acid amides Carboxylic acid esters Lactams Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenylmorpholine - 2-phenylpyrrolidine - Anilide - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Oxazinane - Benzenoid - N-alkylpyrrolidine - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Pyrrolidone - Morpholine - 2-pyrrolidone - Thiazolidine - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Carboxylic acid ester - Lactam - Oxacycle - Thioether - Dialkylthioether - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Amine - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic 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