Compound Identification
SMILES
COCC1=NC(CN2CCN([C@H](C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](O)CN(CC(C)C)S(=O)(=O)C3=CC=C(\C=N/O)C=C3)C(C)(C)C)C2=O)=CS1
InChIKey
InChIKey=KSABWPFNKQZOGO-WBRFXPKXSA-N
Formula
C36H50N6O7S2
Mass
742.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
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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
Phenylbutylamines Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds 2,4-disubstituted thiazoles Organosulfonamides N-acyl amines Imidazolidinones Heteroaromatic compounds Aminosulfonyl compounds Ureas Secondary carboxylic acid amides Secondary alcohols Aldoximes Dialkyl ethers Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - 2,4-disubstituted 1,3-thiazole - Fatty amide - Organosulfonic acid amide - Imidazolidinone - Benzenoid - N-acyl-amine - Fatty acyl - Monocyclic benzene moiety - Thiazole - Imidazolidine - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Sulfonyl - Heteroaromatic compound - Aldoxime - Secondary alcohol - Secondary carboxylic acid amide - Urea - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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