Compound Identification
SMILES
CCCS(=O)(=O)C1=C(N2N(C[C@H](NC(=O)C(=N\OCCBr)\C3=CSC(N)=N3)C2=O)C1)C(O)=O
InChIKey
InChIKey=LMEHZBUIZQUZJA-USTIHIBFSA-N
Formula
C17H21BrN6O7S2
Mass
565.41
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
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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
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
2,4-disubstituted thiazoles Pyrazolidinones 2-amino-1,3-thiazoles Sulfones Pyrazolines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acid hydrazides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl bromides Organobromides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Pyrazolidinone - Azole - Heteroaromatic compound - Pyrazolidine - Thiazole - Sulfonyl - Sulfone - Pyrazoline - Carboxamide group - Amino acid - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available