Compound Identification
SMILES
COC1=C(OCCC(NC(=O)OCC2=CC=CC=C2)C(=O)OCC(O)CO)C=C2CC\C(=N\NC3=NCCCN3)C3=C(CCC3)C2=C1OC
InChIKey
InChIKey=PTDZIECCLVKVDJ-NOACJBATSA-N
Formula
C35H45N5O9
Mass
679.771
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
Benzyloxycarbonyls 1-monoacylglycerols Anisoles Alkyl aryl ethers Fatty acid esters Hydropyrimidines Carbamate esters 1,2-diols Secondary alcohols Carboxylic acid esters Guanidines Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Monoacylglycerol - Phenol ether - Anisole - Monoradylglycerol - 1-acyl-sn-glycerol - Alkyl aryl ether - Fatty acid ester - Glycerolipid - Hydropyrimidine - Fatty acyl - 1,4,5,6-tetrahydropyrimidine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Guanidine - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Organic 1,3-dipolar compound - Ether - Monocarboxylic acid or derivatives - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen 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