Compound Identification
SMILES
COC(=O)C1=CC=C(CN2[C@@H](N[C@@H](C(C)C)C(O)=O)C(=O)NS2(=O)=O)C=C1
InChIKey
InChIKey=VIIBZNCHWNPZDS-QWHCGFSZSA-N
Formula
C16H21N3O7S
Mass
399.42
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 Valine and derivatives
-
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
Valine and derivatives
Alternative Parents
L-alpha-amino acids Benzoic acid esters Benzoyl derivatives Thiadiazolidines Organic sulfuric acids and derivatives Methyl esters Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Benzoate ester - L-alpha-amino acid - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organic sulfuric acid or derivatives - Methyl ester - Thiadiazolidine - Amino acid - Carboxylic acid ester - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available