Compound Identification
SMILES
COC(=O)[C@]12C[C@H]([C@@H](\C=C\C3=CC=CC=C3)N1[C@@H]([C@@H](C2)C(=O)OC(C)(C)C)C1=CC=CC=C1Cl)C(=O)OC(C)(C)C
InChIKey
InChIKey=DUTNSPSPENWBPX-JPYMCQRVSA-N
Formula
C33H40ClNO6
Mass
582.13
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
Phenylpyrrolidines Tricarboxylic acids and derivatives Styrenes Pyrrolizidines Pyrrolidine carboxylic acids Aralkylamines Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Methyl esters Pyrroles Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 2-phenylpyrrolidine - Tricarboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolizidine - Styrene - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidine - Methyl ester - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Amine - Organic nitrogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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