Compound Identification
SMILES
ClC1=CC=CC=C1C1N(C(OC=O)C(=O)N(CCC2=CC=CC=C2)C2=C1C1CCNCC1S2)C(=O)CC1CCCC1
InChIKey
InChIKey=SOTARICCPUWMHP-UHFFFAOYSA-N
Formula
C32H36ClN3O4S
Mass
594.17
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
1,4-diazepines Chlorobenzenes Piperidines Aryl chlorides Tertiary carboxylic acid amides Dihydrothiophenes Lactams Ketene acetals Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Para-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - 2,3-dihydrothiophene - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available