Compound Identification
SMILES
OCCN(CCO)CCO.CC(SCC1=NC(=NO1)C1=CC=CC=C1)C(=O)NCC(O)=O
InChIKey
InChIKey=HBQNTFPTVZBWJD-UHFFFAOYSA-N
Formula
C20H30N4O7S
Mass
470.54
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
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Phenyloxadiazoles Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
N-acyl-alpha-amino acid - Phenyl-1,2,4-oxadiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxadiazole - 1,2,4-oxadiazole - 1,2-aminoalcohol - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Thioether - Alkanolamine - Carboxylic acid - Azacycle - Oxacycle - Sulfenyl compound - Monocarboxylic acid or derivatives - Dialkylthioether - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available