Compound Identification
SMILES
CSC1=CC=CC(=C1)N1C[C@H](CC1=O)C(=O)OCC(=O)NCC(=O)N(C)C
InChIKey
InChIKey=PTIABHFOHKXTJX-LBPRGKRZSA-N
Formula
C18H23N3O5S
Mass
393.46
Taxonomic Classification
Taxonomy Tree
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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 Phenylpyrrolidines Thiophenol ethers Pyrrolidine carboxylic acids Oxoprolines Alkylarylthioethers Pyrrolidine-2-ones Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Secondary carboxylic acid amides Carboxylic acid esters Lactams Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 1-phenylpyrrolidine - Aryl thioether - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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