Compound Identification
SMILES
[Br-].CC(C)(C)NC(=O)C[N+]1=CC=C(SCC2=C(N3[C@H](CO2)[C@H](NC(=O)C(=N/OC2CCCC2)\C2=CSC(N)=N2)C3=O)C(O)=O)C=C1
InChIKey
InChIKey=USEKFBLIHSFPKJ-IWMVPPRXSA-N
Formula
C29H36BrN7O7S2
Mass
738.67
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 Alkylarylthioethers Pyridinium derivatives 2-amino-1,3-thiazoles Vinylogous esters Tertiary carboxylic acid amides Beta lactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organic bromide salts Carbonyl compounds Organic zwitterions Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Vinylogous ester - Azetidine - Carboxamide group - Lactam - Amino acid - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Oxacycle - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Primary amine - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic bromide salt - 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