Compound Identification
SMILES
CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NC2=C(F)C=C(F)C=C2)C2=NC=C(NCC3=CC(=CC=C3)C(F)(F)F)C(=O)N12)B1O[C@@H]2C3CC(C[C@]2(C)O1)C3(C)C
InChIKey
InChIKey=XEWLJUPETQVJEL-KUJPRLDSSA-N
Formula
C37H42BF5N6O5
Mass
756.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- 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
Gamma amino acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Aromatic monoterpenoids N-phenylureas Pyrrolopyrimidines Pyrimidinecarboxamides Phenylmethylamines Benzylamines Aminopyrimidines and derivatives Aralkylamines Secondary alkylarylamines Pyrimidones Fluorobenzenes Aryl fluorides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Secondary carboxylic acid amides Ureas Lactams Organic metalloid salts Azacyclic compounds Oxacyclic compounds Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Monoalkylboranes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gamma amino acid or derivatives - Aromatic monoterpenoid - Monoterpenoid - Trifluoromethylbenzene - N-phenylurea - Nopinane monoterpenoid - Pyrrolopyrimidine - Pyrimidinecarboxamide - Phenylmethylamine - Benzylamine - Pyrimidone - Aminopyrimidine - Secondary aliphatic/aromatic amine - Halobenzene - Aralkylamine - Fluorobenzene - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Aryl fluoride - Aryl halide - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid ester - Lactam - Carboxamide group - Boronic acid derivative - Urea - Secondary carboxylic acid amide - Secondary amine - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Oxacycle - Alkyl fluoride - Organohalogen compound - Organic metalloid moeity - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkylborane - Monoalkylborane - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors
Not available