Compound Identification
SMILES
C[C@@H](NC(=O)C1=CSC=C1)C(=O)N1CCN(CCCOC2=CC(F)=C(C=C2)C2=NOC(=N2)C2=CC=CC=C2)CC1
InChIKey
InChIKey=KKGIXXSEDMOFHD-HXUWFJFHSA-N
Formula
C29H30FN5O4S
Mass
563.65
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Phenyloxadiazoles Thiophene carboxamides Phenoxy compounds Phenol ethers Alkyl aryl ethers N-alkylpiperazines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenyl-1,2,4-oxadiazole - Phenoxy compound - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - 1,2,4-oxadiazole - Oxadiazole - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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