Compound Identification
SMILES
CC(C)OCCOC1=C(C=C(C=C1)C#CC1=CC=C(C=C1)N1CCN(CC1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)C(=O)NCC#N
InChIKey
InChIKey=BFPTUDDLWXDOLV-LJAQVGFWSA-N
Formula
C31H39N5O7S
Mass
625.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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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
N-arylpiperazines Phenylpiperazines Piperazinesulfonamides Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Phenol ethers Phenoxy compounds Alkyl aryl ethers Sulfuric acid diamides Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Nitriles Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Phenylpiperazine - N-arylpiperazine - Piperazine-1-sulfonamide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Benzenoid - 1,4-diazinane - Sulfuric acid diamide - Monocyclic benzene moiety - Piperazine - Organic sulfuric acid or derivatives - Amino acid - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkyl ether - Nitrile - Carbonitrile - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - 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