Compound Identification
SMILES
NC(N)=NCCCC[C@@H](CC(O)=O)NC(=O)C1=C(NS(=O)(=O)C2=CC3=NSN=C3C=C2)C=CS1
InChIKey
InChIKey=ABTIEWFVJVXMTH-NSHDSACASA-N
Formula
C19H23N7O5S3
Mass
525.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Benzothiadiazoles 2-heteroaryl carboxamides Thiophene carboxamides Medium-chain fatty acids Heterocyclic fatty acids Benzenoids Organosulfonamides Heteroaromatic compounds Thiadiazoles Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Guanidines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 2,1,3-benzothiadiazole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Medium-chain fatty acid - Heterocyclic fatty acid - Organosulfonic acid amide - Fatty acyl - Fatty acid - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Heteroaromatic compound - Thiophene - Aminosulfonyl compound - Vinylogous amide - Guanidine - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available