Compound Identification
SMILES
COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H]2C[C@H]2C[C@H]1C1=NC2=C(CCC3=C2C=CC(=C3)C#CC2=CC3=C(C=C2)C2=C(CC3)NC(=N2)[C@@H]2C[C@H]3C[C@H]3N2C(=O)[C@H](C(C)C)N(C)C(O)=O)N1
InChIKey
InChIKey=FNLIGUWMHLTYRO-WWSJVEEXSA-N
Formula
C48H54N8O6
Mass
839.01
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
-
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
Alpha amino acid amides Naphthalenes N-acylpiperidines N-acylpyrrolidines Tertiary carboxylic acid amides Methylcarbamates Imidazoles Heteroaromatic compounds Carbamic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Naphthalene - N-acyl-piperidine - N-acylpyrrolidine - Benzenoid - Piperidine - Methylcarbamate - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Carbamic acid - Carbamic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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