Compound Identification
SMILES
CC[C@@H]1C[C@@H](C[C@H](CC(=O)N2CCCC2)N1C(=O)OC(C)(C)C)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)OC
InChIKey
InChIKey=BAKXALYRUHIXHA-XPWALMASSA-N
Formula
C29H39F6N3O5
Mass
623.637
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
- 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 Piperidinecarboxylic acids N-acylpyrrolidines Tertiary carboxylic acid amides Methylcarbamates Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - Piperidinecarboxylic acid - N-acylpyrrolidine - Monocyclic benzene moiety - Piperidine - Benzenoid - Methylcarbamate - Pyrrolidine - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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