Compound Identification
SMILES
CCOC(=O)C(=N/OC)\C1=C(N2[C@@H](SC1)[C@H](N)C2=O)C(O)=O
InChIKey
InChIKey=XPLRSMCOFLAEQQ-JODOIYLMSA-N
Formula
C12H15N3O6S
Mass
329.33
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
Cephems 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Oxime ethers Amino acids Carboxylic acid esters Azetidines Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Meta-thiazine - Dicarboxylic acid or derivatives - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Lactam - Oxime ether - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Hemithioaminal - Thioether - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Aliphatic 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