Compound Identification
SMILES
CC(C)C1=C(N2[C@@H](S1)[C@H](NC(=O)COC1=CC=CC=C1)C2=O)C(=O)OC(C)(C)C
InChIKey
InChIKey=QNGQGHOAEUKHOJ-BEFAXECRSA-N
Formula
C21H26N2O5S
Mass
418.51
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
Penems Phenol ethers Thiazolecarboxylic acids and derivatives Phenoxy compounds Alkyl aryl ethers Vinylogous thioesters Enoate esters Thiazolines Tertiary carboxylic acid amides Thioenol ethers Azetidines Secondary carboxylic acid amides Tertiary amines Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Phenoxy compound - Penem - Phenol ether - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Meta-thiazoline - Thiazole - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Monocarboxylic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Hemithioaminal - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic 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