Compound Identification
SMILES
NC(=O)CN1C2=C(S[C@@H]([C@H](NC(=O)[C@@H]3CCC(=O)O3)C1=O)C1=CC=CC=C1)C=C(Cl)C=C2
InChIKey
InChIKey=NJBURGORLYHVQA-RYGJVYDSSA-N
Formula
C22H20ClN3O5S
Mass
473.93
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
Benzothiazepines Alkylarylthioethers Aryl chlorides Benzene and substituted derivatives Gamma butyrolactones Tertiary carboxylic acid amides Oxolanes Secondary carboxylic acid amides Primary carboxylic acid amides Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzothiazepine - Aryl thioether - Alkylarylthioether - Aryl halide - Gamma butyrolactone - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Oxolane - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Primary carboxylic acid amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organochloride - 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