Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCN2C(C1)=C(N=C2C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1)CC1=CC(F)=C(F)C=C1F
InChIKey
InChIKey=PIRIYIQGQPEWMB-MRXNPFEDSA-N
Formula
C27H31F6N5O6S
Mass
667.62
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
Amphetamines and derivatives 2-heteroaryl carboxamides Fluorobenzenes Carbonylimidazoles Thiomorpholines N-substituted imidazoles Aryl fluorides Vinylogous amides Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - 1,4-thiazinane - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Carbamic acid ester - Sulfone - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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