Compound Identification
SMILES
NC(=S)C1=CC=C(C=C1)C(=O)NCCC(=O)N1CCC(CC(O)=O)CC1
InChIKey
InChIKey=YIPCZVOTZUEMAS-UHFFFAOYSA-N
Formula
C18H23N3O4S
Mass
377.46
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
N-acylpiperidines Benzamides Benzoyl derivatives Thioamides Tertiary carboxylic acid amides Secondary carboxylic acid amides Thiocarboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Thiocarbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - N-acyl-piperidine - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Piperidine - Benzenoid - Thioamide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Thiocarboxylic acid amide - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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