Compound Identification
SMILES
O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=C(N1)C=C(Br)S2)C(=O)N1C[C@H](O)[C@H](O)C1
InChIKey
InChIKey=DMVBKESPTMGFQB-HWLIBYHHSA-N
Formula
C21H22BrN3O5S
Mass
508.39
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 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Amphetamines and derivatives 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Thienopyrroles N-acylpyrrolidines Pyrrole carboxamides Aryl bromides Monosaccharides Substituted pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - 2-heteroaryl carboxamide - N-acylpyrrolidine - 2,3,5-trisubstituted thiophene - Pyrrole-2-carboxamide - Thienopyrrole - Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available