Compound Identification
SMILES
CCOC(=O)CCNC(=S)N1CCCN1C(=O)C1=CC=NO1
InChIKey
InChIKey=XUOKYYAHIUKTJK-UHFFFAOYSA-N
Formula
C13H18N4O4S
Mass
326.37
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
Thiosemicarbazides Pyrazolidines Isoxazoles Heteroaromatic compounds Carboxylic acid hydrazides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Azole - Isoxazole - Pyrazolidine - Thiosemicarbazide - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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