Compound Identification
SMILES
CO\N=C(\C(=O)N[C@H]1[C@H]2COC(CSC3=CC=[N+](CC(C)=O)C=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=MEXPHEGRAKFQOS-NOSRAPPPSA-O
Formula
C22H23N6O7S2
Mass
547.58
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 2-amino-1,3-thiazoles Pyridinium derivatives Vinylogous esters Tertiary carboxylic acid amides Beta lactams Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Ketones Oxacyclic compounds Carboxylic acids Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Hydrocarbon derivatives Organic oxides Organic cations
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 - Ketone - Lactam - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Oxacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - 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