Compound Identification
SMILES
COC1=CC=C(COC(=O)[C@@H]2CC[C@@H](CN2C(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)SC(C)=O)C=C1
InChIKey
InChIKey=WLRMJCFESAGUSX-VXKWHMMOSA-N
Formula
C24H26N2O8S
Mass
502.54
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
Benzyloxycarbonyls Piperidinecarboxylic acids Nitrobenzenes Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Carbamate esters Thioesters Carbothioic S-esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Piperidinecarboxylic acid - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Carbamic acid ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carbothioic s-ester - Thiocarboxylic acid ester - Allyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - 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