Compound Identification
SMILES
CCC(C(=O)N(CCC(=O)NC1=NN=C(S1)C1=CC=C(C=C1)C(F)(F)F)CCC1=CC(OC)=C(OC)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=AMCOLOYMSPUQRU-UHFFFAOYSA-N
Formula
C32H33F3N4O4S
Mass
626.7
Taxonomic Classification
Taxonomy Tree
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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 Dimethoxybenzenes Phenylacetamides Phenylpropanes Anisoles N-arylamides Phenoxy compounds Alkyl aryl ethers N-acyl amines Heteroaromatic compounds Thiadiazoles Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenylacetamide - Dimethoxybenzene - Trifluoromethylbenzene - O-dimethoxybenzene - Phenylpropane - Phenol ether - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiadiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Alkyl fluoride - 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