Compound Identification
SMILES
OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COC(CN3C(=O)C4=C(C=NC=C4)C3=O)C2)S1
InChIKey
InChIKey=NNANPYCIUBQOKQ-UHFFFAOYSA-N
Formula
C18H13N3O8S
Mass
431.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Thienopyrans Pyrrolopyridines Pyridinecarboxylic acids and derivatives N-arylamides Thiophene carboxylic acids N-substituted carboxylic acid imides Pyrans Heteroaromatic compounds Vinylogous amides Pyrroles Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrrolopyridine - Thienopyran - Pyridine carboxylic acid or derivatives - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - N-arylamide - Carboxylic acid imide, n-substituted - Pyran - Pyridine - Pyrrole - Carboxylic acid imide - Thiophene - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen 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