Compound Identification
SMILES
CN1C(=O)C(=C2SC(=S)N(C(CC(O)=O)C(O)=O)C2=O)C2=CC=CC=C12
InChIKey
InChIKey=VNJZJSFILOXGFB-UHFFFAOYSA-N
Formula
C16H12N2O6S2
Mass
392.4
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Aspartic acid and derivatives
Alternative Parents
Indoles and derivatives Thiazolidinethiones Dicarboxylic acids and derivatives Benzenoids Tertiary carboxylic acid amides Cyclic dithiocarbamic acid esters Lactams Carboxylic acids Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - Indole or derivatives - Dicarboxylic acid or derivatives - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Tertiary carboxylic acid amide - Thiazolidine - Dithiocarbamic acid ester - Carboxamide group - Lactam - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available