Compound Identification
SMILES
COC(=O)CNC(=O)[C@@H]1CS[C@H]2[C@@H](OCC3=CC=CC=C3)[C@H]3OC(C)(C)O[C@@H]3[C@@H](N)C(=O)N12
InChIKey
InChIKey=ZUYBYRIILXWITA-OCPBMRDXSA-N
Formula
C22H29N3O7S
Mass
479.55
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
-
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
Alpha amino acid esters Benzylethers Caprolactams Azepanes Ketals Methyl esters Tertiary carboxylic acid amides Thiazolidines 1,3-dioxolanes Secondary carboxylic acid amides Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Benzylether - Caprolactam - Ketal - Azepane - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Methyl ester - Thiazolidine - Tertiary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Ether - Dialkyl ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - 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