Compound Identification
SMILES
CSCCC(N1N=NC2=CC=CC=C2C1=O)C(=O)NC(CC(O)=O)C(O)=O
InChIKey
InChIKey=CICMJRQBLSAYCZ-UHFFFAOYSA-N
Formula
C16H18N4O6S
Mass
394.4
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
Acyl homoserines N-acyl-alpha amino acids Benzo-1,2,3-triazines Triazinones N-acyl amines Dicarboxylic acids and derivatives 1,2,3-triazines Benzenoids Heteroaromatic compounds Lactams Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Acyl-homoserine - Benzo-1,2,3-triazine - Triazinone - Dicarboxylic acid or derivatives - 1,2,3-triazine - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Triazine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - 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