Compound Identification
SMILES
Cl.CCC[C@@H]1[C@@H]2[C@H](CCN2C(=O)CCN2CCC2)N(C1=O)S(C)(=O)=O
InChIKey
InChIKey=BOQABUOMDDOXAL-ZCGPAKHCSA-N
Formula
C16H28ClN3O4S
Mass
393.93
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
N-acylpyrrolidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids and derivatives Trialkylamines Lactams Azetidines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - N-acylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Tertiary amine - Azetidine - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Amine - Organic nitrogen compound - Hydrochloride - Carbonyl group - Aliphatic heteropolycyclic 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