Compound Identification
SMILES
CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NC2=CC=CC(=C2)C(=O)OC)C2=NC=C(NCC3=CC(=CC=C3)C(F)(F)F)C(=O)N12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C
InChIKey
InChIKey=QITCPPKBAVNIRZ-ISMAWZHCSA-N
Formula
C39H46BF3N6O7
Mass
778.64
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 Benzoic acid esters N-phenylureas Phenylmethylamines Benzoyl derivatives Benzylamines Aminopyrimidines and derivatives Aralkylamines Secondary alkylarylamines Pyrimidones Boronic acid esters Dioxaborolanes Heteroaromatic compounds Methyl esters Lactams Secondary carboxylic acid amides Ureas Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic metalloid salts Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Organopnictogen compounds Monoalkylboranes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gamma amino acid or derivatives - N-phenylurea - Monoterpenoid - Nopinane monoterpenoid - Trifluoromethylbenzene - Benzoate ester - Aromatic monoterpenoid - Benzoic acid or derivatives - Benzylamine - Benzoyl - Phenylmethylamine - Secondary aliphatic/aromatic amine - Pyrimidone - Aralkylamine - Aminopyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid ester - Methyl ester - Lactam - Carbonic acid derivative - Boronic acid derivative - Carboxylic acid ester - Carboxamide group - Urea - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organic metalloid salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Alkyl fluoride - Organohalogen compound - Organoboron compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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