Compound Identification
SMILES
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NN(CC1=CC=CC=C1)C[C@@](O)(CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12
InChIKey
InChIKey=ZDEXTHUJCUWMEJ-HKFRAXQBSA-N
Formula
C33H42N4O6S
Mass
622.78
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
Beta amino acids and derivatives Indanes Organosulfonamides Organic sulfonamides Fatty amides Benzene and substituted derivatives Tertiary alcohols Aminosulfonyl compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid hydrazides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Valine or derivatives - Beta amino acid or derivatives - Indane - Monocyclic benzene moiety - Fatty amide - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Fatty acyl - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Tertiary alcohol - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid hydrazide - Secondary alcohol - Secondary carboxylic acid amide - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Aromatic homopolycyclic 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