Compound Identification
SMILES
C[C@@]1(CCl)S[C@H]2C(Br)C(=O)N2[C@H]1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DBDLYOUGPPNFJV-MHWBSTPXSA-N
Formula
C15H14BrClN2O5S
Mass
449.7
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
-
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
Benzyloxycarbonyls Nitrobenzenes Penams Nitroaromatic compounds Thiazolidines Tertiary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkylthioethers Monocarboxylic acids and derivatives Alkyl bromides Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organobromides Organochlorides Organonitrogen compounds Alkyl chlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Azacycle - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Hemithioaminal - Thioether - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic salt - Alkyl chloride - Organohalogen compound - Organic oxide - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl bromide - Carbonyl group - Organic cation - 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