Compound Identification
SMILES
CC(NC(=O)C1=CSC(=N1)C1CCN(CC1)C(=O)C1=C(C)N2N=C(C)C=C2N=N1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=MJWKPFLKQDKQFE-UHFFFAOYSA-N
Formula
C27H29N7O4S
Mass
547.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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 Alanine and derivatives Benzyloxycarbonyls Pyrazolotriazines N-acylpiperidines Thiazolecarboxamides 2-heteroaryl carboxamides 2,4-disubstituted thiazoles 1,2,4-triazines Vinylogous amides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - Benzyloxycarbonyl - Pyrazolotriazine - N-acyl-piperidine - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Piperidine - Monocyclic benzene moiety - 1,2,4-triazine - Triazine - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Pyrazole - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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