Compound Identification
SMILES
OC(=O)C(F)(F)F.CC1=CC2=C(C=C(S2)C(=O)NC2(CCCC2)C(=O)N[C@@H](CCCN2CCN(CC3=CN=CC=C3)CC2)CC2=CC=CC=C2)C=C1
InChIKey
InChIKey=LEPHKUNHGWWEEK-UCRKPPETSA-N
Formula
C39H46F3N5O4S
Mass
737.88
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
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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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Amphetamines and derivatives 1-benzothiophenes Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides N-alkylpiperazines Aralkylamines Pyridines and derivatives Alpha-halocarboxylic acids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - N-alkylpiperazine - Aralkylamine - Pyridine - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Alpha-halocarboxylic acid - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Thiophene - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Alkyl halide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available