Compound Identification
SMILES
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC(=O)C2=C(C)C3=CC=CC=C3O2)C=C1)C(O)=O
InChIKey
InChIKey=CDQWPWXRHWRQEJ-XMMPIXPASA-N
Formula
C27H25NO7S
Mass
507.56
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
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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
Valine and derivatives
Alternative Parents
Biphenyls and derivatives Benzenesulfonamides Phenol esters Benzenesulfonyl compounds Benzofurans Furoic acid esters Phenoxy compounds Dicarboxylic acids and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Biphenyl - Benzenesulfonamide - Phenol ester - Furoic acid ester - Benzofuran - Benzenesulfonyl group - Furoic acid or derivatives - Phenoxy compound - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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