Compound Identification
SMILES
NC(=O)C[C@H](NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O)C(O)=O
InChIKey
InChIKey=ODCTUBPUHXFKPX-QMMMGPOBSA-N
Formula
C11H14N4O5S2
Mass
346.38
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine and derivatives
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Level 6
Alpha amino acids and derivatives
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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
Asparagine and derivatives
Alternative Parents
N-phenylthioureas Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Fatty amides Aminosulfonyl compounds Thioureas Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Asparagine or derivatives - Benzenesulfonamide - N-phenylthiourea - Benzenesulfonyl group - Monocyclic benzene moiety - Fatty amide - Organosulfonic acid amide - Benzenoid - Fatty acyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Primary carboxylic acid amide - Carboxamide group - Thiourea - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available