Compound Identification
SMILES
CC[C@H](CO)NC1=NC=C(C)C(=N1)C1=CNC(=C1)C(=O)N[C@H](COC(=O)[C@@H](N)C(C)C)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=HLHVLUYNTGZGMW-MZYLBHOOSA-N
Formula
C27H35ClN6O4
Mass
543.07
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
-
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
Valine and derivatives Pyrrole carboxamides 2-heteroaryl carboxamides Aminopyrimidines and derivatives Fatty acid esters Chlorobenzenes Substituted pyrroles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organochlorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aminopyrimidine - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Pyrimidine - Fatty acyl - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Pyrrole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary alcohol - Primary aliphatic amine - Primary amine - Amine - Organohalogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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