Compound Identification
SMILES
CCCOC(=O)C(NCC1=CC=CC=C1)C1SC\C(=C/C=C2C=CC(=C)C=C2)C(=[NH+]1)C(O)=O
InChIKey
InChIKey=OCMVBOLSDSONJB-KGENOOAVSA-O
Formula
C26H29N2O4S
Mass
465.59
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
Alpha-imino acids Phenylmethylamines P-quinodimethanes Benzylamines Aralkylamines 1,3-thiazines Dicarboxylic acids and derivatives Amino acids Carboxylic acid esters Dialkylthioethers Dialkylamines Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Alpha-imino acid or derivatives - Alpha-imino acid - Benzylamine - P-quinodimethane - Phenylmethylamine - Aralkylamine - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Amino acid - Carboxylic acid ester - Thioether - Secondary amine - Organoheterocyclic compound - Azacycle - Dialkylthioether - Carboxylic acid - Secondary aliphatic amine - Organooxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic cation - 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