Compound Identification
SMILES
NC1=NC(=CS1)C(=N\OC1CCCC1)\C(=O)N[C@H]1[C@H]2COC(CSC3=CC=[N+](CC(=O)C4=CC=CC=C4)C=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=DAIWUODYOZCRKF-JXLSVOJSSA-O
Formula
C31H31N6O7S2
Mass
663.74
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives 2,4-disubstituted thiazoles Alkylarylthioethers 2-amino-1,3-thiazoles Pyridinium derivatives Vinylogous esters Tertiary carboxylic acid amides Beta lactams Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Amino acids Carboxylic acids Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-alpha amino acid or derivatives - Phenylketone - Aryl thioether - Benzoyl - Aryl ketone - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - 1,3-thiazol-2-amine - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Vinylogous ester - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Ketone - Amino acid - Lactam - Thioether - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic oxide - Primary amine - Hydrocarbon derivative - Organic cation - 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