Compound Identification
SMILES
OC(=O)C(=O)NC1=C(C(O)=O)C2=C(S1)C(CNC(=O)C1=CC3=C(OCO3)C=C1)OCC2
InChIKey
InChIKey=IIEHJBJTLWEWKV-UHFFFAOYSA-N
Formula
C19H16N2O9S
Mass
448.4
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
Benzodioxoles Thienopyrans Thiophene carboxylic acids N-arylamides Benzenoids Dicarboxylic acids and derivatives Pyrans Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Acetals Dialkyl ethers Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzodioxole - Thienopyran - N-arylamide - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Dicarboxylic acid or derivatives - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen 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