Compound Identification
SMILES
CC1=NC=CN1CC1CCN(CCC(=O)NC2=C(SC=C2)C(O)=O)CC1
InChIKey
InChIKey=JVCLRSZXAORPEG-UHFFFAOYSA-N
Formula
C18H24N4O3S
Mass
376.48
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
-
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
Thiophene carboxylic acids N-arylamides Imidazolyl carboxylic acids and derivatives Piperidines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Imidazolyl carboxylic acid derivative - Thiophene carboxylic acid - N-arylamide - Thiophene carboxylic acid or derivatives - N-substituted imidazole - Piperidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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