Compound Identification
SMILES
NC(=O)CN1C2=C(S[C@@H]([C@H](NC(=O)C3=CC4=CC=CC=C4N3)C1=O)C1=CC=CC=C1)C=C(Cl)C=C2
InChIKey
InChIKey=XULKXKQFVAEZLW-BJKOFHAPSA-N
Formula
C26H21ClN4O3S
Mass
504.99
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
Indolecarboxamides and derivatives Benzothiazepines Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Alkylarylthioethers Aryl chlorides Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Primary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Benzothiazepine - Indole - Indole or derivatives - 2-heteroaryl carboxamide - Aryl thioether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Alkylarylthioether - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Lactam - Thioether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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