Compound Identification
SMILES
COCCN(CCC(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C1=NC(CC2=CC=C(F)C=C2)=NS1
InChIKey
InChIKey=TXTPKQXAJDNFMY-UHFFFAOYSA-N
Formula
C27H32FN5O4S
Mass
541.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
-
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
Benzodioxoles Dialkylarylamines Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Acetals Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxole - Dialkylarylamine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Aryl fluoride - Piperazine - Azole - Heteroaromatic compound - Thiadiazole - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Dialkyl ether - Oxacycle - Acetal - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic 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