Compound Identification
SMILES
NC(=O)CCNC(=O)C1=CC=CC=C1SC(=O)C1=CC=NC=C1
InChIKey
InChIKey=XZCMOCXIHBREJP-UHFFFAOYSA-N
Formula
C16H15N3O3S
Mass
329.37
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
O-sulfanylbenzoic acids and derivatives Benzamides Pyridinecarboxylic acids and derivatives Aryl thioethers Benzoyl derivatives Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Primary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Aryl thioether - Benzoyl - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Organoheterocyclic compound - Azacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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