Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)[C@@H](C#N)C(C)=N)C=C1
InChIKey
InChIKey=SDEZAUZHBBXNCD-LEOSZZHHSA-N
Formula
C21H25N3O5
Mass
399.447
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
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
Valine and derivatives Alpha amino acid esters Cinnamic acid amides Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Secondary carboxylic acid amides Carboxylic acid esters Ketones Ketimines Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Ketone - Ketimine - Carboxamide group - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxide - Cyanide - Organic nitrogen compound - Imine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic 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