Compound Identification
SMILES
CC1=CC(C[C@@H](OC(=O)N2CCC(CC2)N2CCC3=CC=CC=C3NC2=O)C(=O)N2CCC(CC2)C2CCN(CC(=O)OCC3=CC=NC=C3)CC2)=CC(C)=C1O
InChIKey
InChIKey=WETUINVRMWUEGL-LDLOPFEMSA-N
Formula
C44H56N6O7
Mass
780.967
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
-
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
N-acylpiperidines Piperidinecarboxylic acids m-Xylenes Ortho cresols Pyridines and derivatives Carbamate esters Heteroaromatic compounds Tertiary carboxylic acid amides Ureas Carboxylic acid esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Piperidinecarboxylic acid - N-acyl-piperidine - M-xylene - Xylene - O-cresol - Phenol - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Urea - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen 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