Compound Identification
SMILES
Clc1ccc(Cc2nn(C3CCCN(CC(=O)NC4CCSC4=O)CC3)c(=O)c3ccccc23)cc1
InChIKey
InChIKey=TXEOIRYMEQHUTO-UHFFFAOYSA-N
Formula
C27H29ClN4O3S
Mass
525.06
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
Alpha amino acid amides Phthalazinones Azepanes Pyridazinones Chlorobenzenes Aryl chlorides Thiolanes Carbothioic S-lactones Heteroaromatic compounds Trialkylamines Thiolactones Thioesters Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phthalazinone - Diazanaphthalene - Phthalazine - Azepane - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Benzenoid - Carbothioic s-lactone - Heteroaromatic compound - Thiolane - Thiocarboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Thiolactone - Carboxamide group - Lactam - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - 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