Compound Identification
SMILES
OS([O-])(=O)=O.NC1=NC(=CS1)C(=N\OC1CCCC1)\C(=O)N[C@H]1[C@H]2COC(CSC3=CC=[N+](CC(=O)N4CCC(O)CC4)C=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=OBUOXDYKAPOADN-RNSCIFIYSA-N
Formula
C30H37N7O12S3
Mass
783.84
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
N-acylpiperidines 2,4-disubstituted thiazoles Alkylarylthioethers 2-amino-1,3-thiazoles Pyridinium derivatives Vinylogous esters Tertiary carboxylic acid amides Beta lactams Heteroaromatic compounds Organic sulfuric acids and derivatives Secondary carboxylic acid amides Amino acids Azetidines Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-piperidine - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Piperidine - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Azole - Beta-lactam - Organic sulfuric acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Vinylogous ester - Azetidine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid - Carboxamide group - Lactam - Thioether - Azacycle - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Organic zwitterion - Hydrocarbon derivative - Organic salt - Alcohol - 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