Compound Identification
SMILES
COC(=O)[C@@]1(COC(C)(C)O[C@H]1[C@@H](CCOC(=O)C(C)(C)C)OCC1=CC=CC=C1)NC(=O)C(Cl)(Cl)Cl
InChIKey
InChIKey=HODCNCPWGDNBKU-YTZAWJCFSA-N
Formula
C25H34Cl3NO8
Mass
582.9
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
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Benzylethers Ketals Dicarboxylic acids and derivatives 1,3-dioxanes Methyl esters Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzylether - Ketal - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Methyl ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl chloride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available