Compound Identification
SMILES
NC(N)=NC1=NC(=CS1)C(=O)C(C(=O)N[C@@H](CC(O)=O)C(O)=O)C1=CC=CN1
InChIKey
InChIKey=AXDYYMVTQHWRNI-BYDSUWOYSA-N
Formula
C15H16N6O6S
Mass
408.39
Taxonomic Classification
Taxonomy Tree
-
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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
Aspartic acid and derivatives
Alternative Parents
3-Oxo-acyl homoserines N-acyl-L-alpha-amino acids Acyl L-homoserines Aryl alkyl ketones 2,4-disubstituted thiazoles Substituted pyrroles 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - 3-oxo-acyl-homoserine - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Acyl-homoserine - N-acyl-l-alpha-amino acid - Acyl-l-homoserine - Aryl ketone - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Dicarboxylic acid or derivatives - Fatty amide - Substituted pyrrole - 1,3-dicarbonyl compound - Fatty acyl - Heteroaromatic compound - Thiazole - Azole - Pyrrole - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Ketone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available