Compound Identification
SMILES
Cl.NC1C(OC1=O)C(O)=O.CCOC1=C2C(=O)C=C(OC2=CC(OC(C)C)=C1OC)SC1=CC=CC=C1
InChIKey
InChIKey=BGVAXJUUSKFNCB-UHFFFAOYSA-N
Formula
C25H28ClNO9S
Mass
554.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives
Direct Parent
Oxetane amino acids and derivatives
Alternative Parents
Alpha amino acid esters Chromones Diarylthioethers Thiophenol ethers Anisoles Alkyl aryl ethers Pyranones and derivatives Vinylogous thioesters Benzene and substituted derivatives Dicarboxylic acids and derivatives Vinylogous esters Beta propiolactones Heteroaromatic compounds Oxetanes Amino acids Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Carboxylic acids Carbonyl compounds Monoalkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Oxetane amino acid - Chromone - Diarylthioether - 1-benzopyran - Alpha-amino acid or derivatives - Benzopyran - Thiophenol ether - Aryl thioether - Phenol ether - Anisole - Pyranone - Alkyl aryl ether - Vinylogous thioester - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous ester - Beta_propiolactone - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxetane - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Ether - Carbonyl group - Primary amine - Hydrochloride - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxetane amino acids and derivatives. These are sugar amino acids containing an oxetane ring between the carboxy- and the amino terminals of the amino acid chain.
External Descriptors
Not available