Compound Identification
SMILES
NC(=O)C1=C(NC(=O)NCCC(O)C(O)=O)SN=C1OCC1=C(F)C=C(Br)C=C1F
InChIKey
InChIKey=SMBASZMLBSTDQO-UHFFFAOYSA-N
Formula
C16H15BrF2N4O6S
Mass
509.28
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
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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
Gamma amino acids and derivatives
Alternative Parents
Thiazolecarboxamides Alkyl aryl ethers Bromobenzenes Fluorobenzenes Alpha hydroxy acids and derivatives Aryl bromides Aryl fluorides Monosaccharides Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Primary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organonitrogen compounds Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma amino acid or derivatives - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Bromobenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Aryl bromide - Aryl halide - Aryl fluoride - Vinylogous amide - Azole - Thiazole - Heteroaromatic compound - Urea - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Alcohol - Organohalogen compound - Carbonyl group - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors
Not available