Compound Identification
SMILES
NCCN1N=NN=C1SCC1=CSC2C(NC(=O)CC3=CSC(N)=N3)C(=O)N2C1C(O)=O
InChIKey
InChIKey=GEPKOVIGBVSMOE-UHFFFAOYSA-N
Formula
C16H19N9O4S3
Mass
497.57
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
2-arylethylamines 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Tetrazoles Tertiary carboxylic acid amides Beta lactams Heteroaromatic compounds Thioenol ethers Secondary carboxylic acid amides Amino acids Azetidines Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Carboxylic acids Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Aryl thioether - 2-arylethylamine - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Beta-lactam - Tertiary carboxylic acid amide - Tetrazole - Thiazole - Heteroaromatic compound - Amino acid - Carboxamide group - Thioenolether - Azetidine - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hemithioaminal - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - 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