Compound Identification
SMILES
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N([C@@H](CSC(=O)C1=NC=CN1C)[C@@H](O)[C@H](O)[C@@H](N)CSC(=O)C1=NC=CN1C)C(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(C)C
InChIKey
InChIKey=KMGFUPONZVAGJO-UWPASDSESA-N
Formula
C42H54N8O10S2
Mass
895.06
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
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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
Alpha amino acid amides Benzyloxycarbonyls N-acyl amines N-substituted carboxylic acid imides N-substituted imidazoles 1,3-aminoalcohols Heteroaromatic compounds Dicarboximides Carbamate esters 1,2-diols 1,2-aminoalcohols Carbothioic S-esters Tertiary amines Thioesters Secondary alcohols Azacyclic compounds Sulfenyl compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Benzyloxycarbonyl - Monocyclic benzene moiety - N-acyl-amine - Carboxylic acid imide, n-substituted - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Carboxylic acid imide - Carbamic acid ester - Dicarboximide - Imidazole - 1,3-aminoalcohol - Carbothioic s-ester - 1,2-aminoalcohol - Thiocarboxylic acid ester - 1,2-diol - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Amine - Organic oxide - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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