Compound Identification
SMILES
C[C@H](OC(=O)CN1N=NC(=N1)C1=CC=C(C)C=C1)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=BHKKQZPGKLCLQX-AWEZNQCLSA-N
Formula
C21H19N5O3
Mass
389.415
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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
Alpha amino acid esters
Alternative Parents
Phenyltetrazoles and derivatives Indoles Aryl alkyl ketones Toluenes Alpha-acyloxy ketones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenyltetrazole - Indole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Toluene - Alpha-acyloxy ketone - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - Vinylogous amide - Pyrrole - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available