Compound Identification
SMILES
NC1=NC(=NS1)C(=N\O[C@H]1CCC=C1)\C(=O)N[C@@H]1[C@H]2SCC(C[N+]3=CC=C(C=C3)C([O-])=O)=CN2C1=O
InChIKey
InChIKey=ZTKWXZJPBTVGGG-MUFRHBRXSA-N
Formula
C22H21N7O5S2
Mass
527.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Cephems Pyridinecarboxylic acids 1,3-thiazines Pyridinium derivatives Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Carboxylic acid salts Secondary carboxylic acid amides Dialkylthioethers Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Cephem - Meta-thiazine - Pyridine - Pyridinium - Azole - Tertiary carboxylic acid amide - Thiadiazole - Beta-lactam - Heteroaromatic compound - Amino acid - Azetidine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Hemithioaminal - Thioether - Organic oxygen compound - Organic salt - Amine - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - 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