Compound Identification
SMILES
CC(=O)C[C@@H]1[C@H]2SC(CC3=CC=CC=C3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C
InChIKey
InChIKey=FOOOSWWDUGZKER-HNAYVOBHSA-N
Formula
C22H25NO6S
Mass
431.5
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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Penems Thiazolecarboxylic acids and derivatives Acylals Vinylogous thioesters Benzene and substituted derivatives Dicarboxylic acids and derivatives Enoate esters Tertiary carboxylic acid amides Thiazolines Ketones Azetidines Thioenol ethers Thiohemiaminal derivatives Acetals Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Acylal - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous thioester - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Meta-thiazoline - Azetidine - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Thioenolether - Acetal - Azacycle - Organoheterocyclic compound - Hemithioaminal - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Aldehyde - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available