Compound Identification
SMILES
CC(C)OC(=O)[C@@H](N)C1=C(C=CC(OCCC2=C(C)SC(=N2)C2=CN=C(C=C2)C2=CC=CC=C2)=C1)[C@H](C)C(O)=O
InChIKey
InChIKey=BDGWUBSSNKQKLS-VKGTZQKMSA-N
Formula
C31H33N3O5S
Mass
559.68
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
-
Level 6
Alpha amino acids and derivatives
-
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
Phenylpyridines Phenylpropanoic acids Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Aralkylamines Dicarboxylic acids and derivatives Heteroaromatic compounds Amino acids Carboxylic acid esters Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Monoalkylamines Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - 2-phenylpyridine - 2-phenylpropanoic-acid - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Thiazole - Amino acid - Carboxylic acid ester - Ether - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Primary amine - Aromatic heteromonocyclic 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