Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@@H]1COC(=O)[C@H]1NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2
InChIKey
InChIKey=HTQSGCDIFAAIFM-KGLIPLIRSA-N
Formula
C18H20ClN3O5
Mass
393.82
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 esters Indolecarboxamides and derivatives Indoles 2-heteroaryl carboxamides Pyrrole carboxamides Substituted pyrroles Aryl chlorides Benzenoids Gamma butyrolactones Oxolanes Carbamate esters Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Indole or derivatives - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Gamma butyrolactone - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Carbamic acid ester - Oxolane - Pyrrole - Lactone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - 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