Compound Identification
SMILES
CC(C)(C)OC(=O)NCC(C(=O)NCC#N)C1=CSC2=CC=CC=C12
InChIKey
InChIKey=URNJMMIQMYWMJJ-UHFFFAOYSA-N
Formula
C18H21N3O3S
Mass
359.44
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 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
1-benzothiophenes Benzenoids Thiophenes Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzothiophene - 1-benzothiophene - Benzenoid - Thiophene - Heteroaromatic compound - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carbonitrile - Nitrile - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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