Compound Identification
SMILES
CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NC2=CC=CC=C2C(=O)NC)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=NKXHPPLTIWKTLB-LWMXHDISSA-N
Formula
C39H47BF3N7O6
Mass
777.65
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
-
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
Aromatic monoterpenoids Trifluoromethylbenzenes N-phenylureas Benzamides Pyrimidinecarboxamides Pyrrolopyrimidines Benzoyl derivatives Benzylamines Phenylmethylamines Pyrimidones Secondary alkylarylamines Aralkylamines Aminopyrimidines and derivatives Vinylogous amides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organic metalloid salts Monoalkylboranes Organofluorides Alkyl fluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gamma amino acid or derivatives - Aromatic monoterpenoid - N-phenylurea - Trifluoromethylbenzene - Monoterpenoid - Nopinane monoterpenoid - Pyrrolopyrimidine - Benzamide - Benzoic acid or derivatives - Pyrimidinecarboxamide - Benzoyl - Phenylmethylamine - Benzylamine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Alkylborane - Monoalkylborane - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - 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