Compound Identification
SMILES
OC(=O)CC1CN(CCO1)C(=O)CCN1C(=S)S\C(=C/C2=CC(=CS2)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C1=O
InChIKey
InChIKey=COXQCXQWKSCXLN-GRSHGNNSSA-N
Formula
C25H20F6N2O5S3
Mass
638.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Morpholines Thiazolidinethiones Cyclic dithiocarbamic acid esters Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carboxylic acids Organofluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organonitrogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Tertiary carboxylic acid amide - Dithiocarbamic acid ester - Thiazolidine - Thiophene - Carboxamide group - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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