Compound Identification
SMILES
CCSCC[C@@H](N)C(O)C(=O)NNC(=O)C1=CC=C(C=C1)N(C)C
InChIKey
InChIKey=KXEKCJVGWNJXBX-KWCCSABGSA-N
Formula
C16H26N4O3S
Mass
354.47
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
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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
Aminobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Monosaccharides Secondary alcohols Carboxylic acid hydrazides Sulfenyl compounds Dialkylthioethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Tertiary amine - Secondary alcohol - Carboxylic acid hydrazide - Dialkylthioether - Sulfenyl compound - Thioether - Organic nitrogen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organosulfur compound - Primary amine - Aromatic homomonocyclic 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