Compound Identification
SMILES
OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COC(CN3C(=O)CC(N4C=CN=C4)C3=O)C2)S1
InChIKey
InChIKey=JLIGKHUEOCFRJV-UHFFFAOYSA-N
Formula
C18H16N4O8S
Mass
448.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
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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 Imidazolyl carboxylic acids and derivatives Thiophene carboxylic acids N-arylamides N-alkylpyrrolidines N-substituted carboxylic acid imides N-substituted imidazoles Pyrans Pyrrolidine-2-ones Vinylogous amides Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Thienopyran - Imidazolyl carboxylic acid derivative - Thiophene carboxylic acid - N-arylamide - Thiophene carboxylic acid or derivatives - Carboxylic acid imide, n-substituted - N-substituted imidazole - Pyran - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Azole - Carboxylic acid imide - Dicarboximide - Imidazole - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Lactam - Dialkyl ether - Carboxylic acid - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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