Compound Identification
SMILES
NC(CS)CNC1=C(OCC(=O)N[C@@H](CC(N)=O)C(O)=O)N=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=OHTNPPYQAXIMRD-VYIIXAMBSA-N
Formula
C20H25N5O5S
Mass
447.51
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 Asparagine 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
Asparagine and derivatives
Alternative Parents
N-acyl-L-alpha-amino acids Phenylpyridines Secondary alkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Fatty amides Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Alkylthiols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Asparagine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 2-phenylpyridine - Alkyl aryl ether - Aminopyridine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Fatty amide - Fatty acyl - Benzenoid - Heteroaromatic compound - Primary carboxylic acid amide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Aromatic heteromonocyclic 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