Compound Identification
SMILES
CN1C(C)=CC(C(=O)COC(=O)CN2N=NC(=N2)C2=CC=C(Cl)C=C2)=C1C
InChIKey
InChIKey=YCBYVFJINSCVHK-UHFFFAOYSA-N
Formula
C18H18ClN5O3
Mass
387.82
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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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 Aryl alkyl ketones Chlorobenzenes Alpha-acyloxy ketones N-methylpyrroles Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenyltetrazole - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Alpha-acyloxy ketone - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl halide - Monocyclic benzene moiety - N-methylpyrrole - Vinylogous amide - Heteroaromatic compound - Tetrazole - Pyrrole - Azole - Carboxylic acid ester - Ketone - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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