Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O
InChIKey
InChIKey=FCITVMLDLLRANI-SOWVLMPRSA-N
Formula
C17H20N2O8S2
Mass
444.47
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 Amino acids Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Not available
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 - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - 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