Compound Identification
SMILES
OS([O-])(=O)=O.CC(C)=CC[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=JHFTXPIWIYKELW-TUJXRPIBSA-N
Formula
C28H34N6O10S3
Mass
710.79
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
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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 Organic sulfuric acids and derivatives Beta lactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic salts Organic oxides 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 - Organic sulfuric acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous ester - Thiazole - Azetidine - Carboxamide group - Lactam - Amino acid - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Oxacycle - Thioether - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Organosulfur compound - Organic salt - Primary amine - Organic oxygen compound - 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