Compound Identification
SMILES
FC1=CC2=C(NNC(=S)NC[C@H]3CCCO3)C(=O)N=C2C(Br)=C1
InChIKey
InChIKey=NXKTZGZOOWTVHU-MRVPVSSYSA-N
Formula
C14H14BrFN4O2S
Mass
401.25
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
-
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
Alpha amino acids and derivatives
Alternative Parents
Indoles and derivatives Aryl bromides Aryl fluorides Benzenoids Thiosemicarbazides Oxolanes N-acylimines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organofluorides Organopnictogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Indole or derivatives - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Oxolane - Thiosemicarbazide - N-acylimine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available